N-(4-bromophenyl)-2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-(4-bromophenyl)-2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C714-0106 |
| Compound Name: | N-(4-bromophenyl)-2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 405.31 |
| Molecular Formula: | C18 H17 Br N2 O2 S |
| Smiles: | CC1CC(N(CC(Nc2ccc(cc2)[Br])=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3062 |
| logD: | 4.3059 |
| logSw: | -4.1724 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.099 |
| InChI Key: | BYAYNHNPDNIFBV-GFCCVEGCSA-N |