N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0626 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-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: | C1C(c2ccco2)Sc2ccccc2N(CC(NCc2ccccc2[Cl])=O)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.348 |
| logD: | 4.348 |
| logSw: | -4.3897 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.728 |
| InChI Key: | ZJDPQWMZQHIICH-HXUWFJFHSA-N |