N-(2-chlorophenyl)-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(2-chlorophenyl)-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0821 |
| Compound Name: | N-(2-chlorophenyl)-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 510.03 |
| Molecular Formula: | C22 H24 Cl N3 O5 S2 |
| Smiles: | CC1CSc2ccc(cc2N(CC(Nc2ccccc2[Cl])=O)C1=O)S(N1CCOCC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9702 |
| logD: | 2.9699 |
| logSw: | -3.349 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.743 |
| InChI Key: | YKQBNNLMVWHDBO-HNNXBMFYSA-N |