Ethyl 3-(2,5-dimethyl-3-{[(5E)-1-(3-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate
Structure Info
- Chemspace ID
- CSSB00132351537 (In-Stock Building Blocks)
- MFCD
- MFCD02950822
- IUPAC Name
- ethyl 3-(2,5-dimethyl-3-{[(5E)-1-(3-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate
- Mol formula
- C27H25N3O4S
- Mol weight
- 488 Da
- Catalog Number(s)
- 3972-0723, AA029BT0, AM-879/15551157, BL94336, CSC132351537, IBS-E0082512, OSSK_598113, ST029DCK, STK198353, TX029D1G
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.79
- Heavy atoms count
- 35
- Rotatable bond count
- 6
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.185
- Polar surface area (Å)
- 81
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
![Chemical structure of Ethyl 3-(2,5-dimethyl-3-{[(5E)-1-(3-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate (C27H25N3O4S) - CSSB00132351537](/st/structure/200/d1d550b53adbce507d649d28cdd7587a/CCOC%2528%253DO%2529C1%253DCC%253DCC%2528%253DC1%2529N1C%2528C%2529%253DCC%2528%255CC%253DC2%252FC%2528%253DO%2529NC%2528%253DS%2529N%2528C2%253DO%2529C2%253DCC%253DCC%2528C%2529%253DC2%2529%253DC1C.png "C27H25N3O4S")
- Zoom the structure
- CSSB00132351537
Items Overall 3 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific LLC | 14 days | United States To: | 90 | 10 mg | 245.30 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 50 mg | 288.20 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 100 mg | 317.90 | |
Description: ethyl 3-{2,5-dimethyl-3-[(1-(3-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoate; CAS: 347397-47-1 | ||||||
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