N-(4-bromophenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(4-bromophenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0349 |
| Compound Name: | N-(4-bromophenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 527.44 |
| Molecular Formula: | C25 H23 Br N2 O4 S |
| Smiles: | COc1ccc(cc1OC)C1CC(N(CC(Nc2ccc(cc2)[Br])=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2838 |
| logD: | 5.2835 |
| logSw: | -5.1337 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.089 |
| InChI Key: | ILYMGZKZAWSYCH-HSZRJFAPSA-N |