N-(4-bromophenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
N-(4-bromophenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Compound characteristics
| Compound ID: | C867-0175 |
| Compound Name: | N-(4-bromophenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide |
| Molecular Weight: | 499.38 |
| Molecular Formula: | C23 H19 Br N2 O4 S |
| Smiles: | C1C(c2ccccc2)S(c2ccccc2N(CC(Nc2ccc(cc2)[Br])=O)C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3384 |
| logD: | 4.3382 |
| logSw: | -4.3165 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.808 |
| InChI Key: | JBHFYJIWAYPZHQ-OAQYLSRUSA-N |