N-(3-chlorophenyl)-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(3-chlorophenyl)-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0124 |
| Compound Name: | N-(3-chlorophenyl)-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 480 |
| Molecular Formula: | C21 H22 Cl N3 O4 S2 |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)N(CC(Nc1cccc(c1)[Cl])=O)C(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0806 |
| logD: | 4.0804 |
| logSw: | -4.3162 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.176 |
| InChI Key: | PUOYLJAFTCKDPG-UHFFFAOYSA-N |