Ethyl 4-(3-{[(5E)-1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Structure Info
- Chemspace ID
- CSSB00132548669 (In-Stock Building Blocks)
- MFCD
- MFCD02047373
- IUPAC Name
- ethyl 4-(3-{[(5E)-1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
- Mol formula
- C28H27N3O4S
- Mol weight
- 502 Da
- Catalog Number(s)
- AA02T6JM, AG-690/13706058, BV20638, CSC132548669, CSC160686828, OSSK_604022, OSSM_034214, ST02T836, STK191794, STK629710, STOCK2S-55396, TX02T7S2, Y902-1106, ZX-RC034561
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 6.23
- Heavy atoms count
- 36
- Rotatable bond count
- 7
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.214
- Polar surface area (Å)
- 81
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
![Chemical structure of Ethyl 4-(3-{[(5E)-1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate (C28H27N3O4S) - CSSB00132548669](/st/structure/200/704f804a50c0a87bc39a5937e43b0ad8/CCOC%2528%253DO%2529C1%253DCC%253DC%2528C%253DC1%2529N1C%2528C%2529%253DCC%2528%255CC%253DC2%252FC%2528%253DO%2529NC%2528%253DS%2529N%2528C2%253DO%2529C2%253DCC%253DC%2528CC%2529C%253DC2%2529%253DC1C.png "C28H27N3O4S")
- Zoom the structure
- CSSB00132548669
Items Overall 1 item 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 | |
Description: ethyl 4-[3-[(E)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate; CAS: 332355-78-9 | ||||||
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