N-(3-methylphenyl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-(3-methylphenyl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-(3-methylphenyl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C714-0173 |
| Compound Name: | N-(3-methylphenyl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C24 H22 N2 O2 S |
| Smiles: | Cc1cccc(c1)NC(CN1C(CC(c2ccccc2)Sc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.182 |
| logD: | 5.182 |
| logSw: | -4.9696 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.828 |
| InChI Key: | FFRLVXXLGNQQRR-QFIPXVFZSA-N |