Ethyl 4-(3-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Structure Info
- Chemspace ID
- CSSB00121696878 (In-Stock Building Blocks)
- IUPAC Name
- ethyl 4-(3-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
- Mol formula
- C28H27N3O5S
- Mol weight
- 518 Da
- Catalog Number(s)
- AA02TZ6B, BV57743, CSC121696878, ST02U0PV, TX02U0ER
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.47
- Heavy atoms count
- 37
- Rotatable bond count
- 8
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.214
- Polar surface area (Å)
- 90
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
![Chemical structure of Ethyl 4-(3-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate (C28H27N3O5S) - CSSB00121696878](/st/structure/200/e06e705577b15f8b36669520e817ca41/CCOC%2528%253DO%2529C1%253DCC%253DC%2528C%253DC1%2529N1C%2528C%2529%253DCC%2528C%253DC2C%2528%253DO%2529NC%2528%253DS%2529N%2528C2%253DO%2529C2%253DCC%253DC%2528OCC%2529C%253DC2%2529%253DC1C.png "C28H27N3O5S")
- Zoom the structure
- CSSB00121696878
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 4-[3-[(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate; CAS: 340306-39-0 | ||||||
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