Oprea1_691961
methyl 2-[(3-bromobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_691961|Oprea1_848327|SR-01000463219-1|A2623/0111612|METHYL 2-(3-BROMOBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|methyl 2-(3-bromobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-[(3-bromophenyl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3- carboxylate|methyl 2-{[(3-bromophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H16BrNO3S |
|---|---|
| Molecular Weight | 393.00342 g/mol |
| LogP | 4.4283 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.00342 |
| Monoisotopic Mass | 393.00342 |
| Heavy Atoms | 23 |
| Complexity | 769.19415 |
Chemical Identifiers
| CAS Number | 305375-77-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC=C3)Br |
Product Overview
Oprea1_691961 (CAS 305375-77-3), with molecular formula C17H16BrNO3S and molecular weight 393.00342 g/mol. IUPAC: methyl 2-[(3-bromobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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