N-(4-bromophenyl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-(4-bromophenyl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C714-0187 |
| Compound Name: | N-(4-bromophenyl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 467.38 |
| Molecular Formula: | C23 H19 Br N2 O2 S |
| Smiles: | C1C(c2ccccc2)Sc2ccccc2N(CC(Nc2ccc(cc2)[Br])=O)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6559 |
| logD: | 5.6557 |
| logSw: | -5.7416 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.828 |
| InChI Key: | UNVAYUVMGQNAFK-OAQYLSRUSA-N |