AC1N2XDR
methyl 6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: Oprea1_635790|F0539-1207|methyl 6-benzyl-2-(4-(morpholinosulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate|methyl 6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate|methyl 6-benzyl-2-[4-(morpholine-4-sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C27H29N3O6S2 |
|---|---|
| Molecular Weight | 555.1498 g/mol |
| LogP | 3.3662 |
| Topological Polar Surface Area | 105.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 555.1498 |
| Monoisotopic Mass | 555.1498 |
| Heavy Atoms | 38 |
| Complexity | 1414.9946 |
Chemical Identifiers
| CAS Number | 524679-83-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 |
Product Overview
AC1N2XDR (CAS 524679-83-2), with molecular formula C27H29N3O6S2 and molecular weight 555.1498 g/mol. IUPAC: methyl 6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
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