AC1MSHFM
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(azepan-1-ylsulfonyl)benzamide
Also Known As: Oprea1_321439|F0539-1781|N-(6-acetyl-3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(azepan-1-ylsulfonyl)benzamide|N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-4-(azepane-1-sulfonyl)benzamide|N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(azepan-1-ylsulfonyl)benzamide
| Molecular Formula | C29H30N4O4S3 |
|---|---|
| Molecular Weight | 594.14294 g/mol |
| LogP | 5.7464 |
| Topological Polar Surface Area | 99.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 594.14294 |
| Monoisotopic Mass | 594.14294 |
| Heavy Atoms | 40 |
| Complexity | 1650.8438 |
Chemical Identifiers
| CAS Number | 449770-39-2 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCCCCC6 |
Product Overview
AC1MSHFM (CAS 449770-39-2), with molecular formula C29H30N4O4S3 and molecular weight 594.14294 g/mol. IUPAC: N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(azepan-1-ylsulfonyl)benzamide.
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