AC1M2EPQ
3-(azepan-1-ylsulfonyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
Also Known As: 3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide|F1651-0020|3-(AZEPANE-1-SULFONYL)-N-[5-(PROP-2-EN-1-YLSULFANYL)-1,3,4-THIADIAZOL-2-YL]BENZAMIDE|N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-3-(azepan-1-ylsulfonyl)benzamide|3-(azepan-1-ylsulfonyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide|[3-(azaperhydroepinylsulfonyl)phenyl]-N-(5-prop-2-enylthio(1,3,4-thiadiazol-2- yl))carboxamide
| Molecular Formula | C18H22N4O3S3 |
|---|---|
| Molecular Weight | 438.08542 g/mol |
| LogP | 3.6332 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.08542 |
| Monoisotopic Mass | 438.08542 |
| Heavy Atoms | 28 |
| Complexity | 935.0574 |
Chemical Identifiers
| CAS Number | 690246-65-2 |
|---|---|
| SMILES | C=CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 |
Product Overview
AC1M2EPQ (CAS 690246-65-2), with molecular formula C18H22N4O3S3 and molecular weight 438.08542 g/mol. IUPAC: 3-(azepan-1-ylsulfonyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.
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