N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0541 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 508.06 |
| Molecular Formula: | C23 H26 Cl N3 O4 S2 |
| Smiles: | CC1CSc2ccc(cc2N(CC(Nc2cccc(c2C)[Cl])=O)C1=O)S(N1CCCC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3857 |
| logD: | 4.3853 |
| logSw: | -4.4018 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.201 |
| InChI Key: | YCNDKLIPQXIVBO-HNNXBMFYSA-N |