N-(3-chloro-4-methylphenyl)-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(3-chloro-4-methylphenyl)-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0595 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 426.92 |
| Molecular Formula: | C22 H19 Cl N2 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C(CC(c2ccco2)Sc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3784 |
| logD: | 5.3781 |
| logSw: | -5.8067 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.406 |
| InChI Key: | VQLMBQHJRAKOTC-HXUWFJFHSA-N |