N-(4-bromophenyl)-2-[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(4-bromophenyl)-2-[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0268 |
| Compound Name: | N-(4-bromophenyl)-2-[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 497.41 |
| Molecular Formula: | C24 H21 Br N2 O3 S |
| Smiles: | COc1ccc(cc1)C1CC(N(CC(Nc2ccc(cc2)[Br])=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.634 |
| logD: | 5.6338 |
| logSw: | -5.4279 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.371 |
| InChI Key: | CSVFQTZCAPXNAQ-JOCHJYFZSA-N |