N-(2,6-dimethylphenyl)-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(2,6-dimethylphenyl)-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0144 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 473.61 |
| Molecular Formula: | C23 H27 N3 O4 S2 |
| Smiles: | Cc1cccc(C)c1NC(CN1C(CCSc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5118 |
| logD: | 3.5117 |
| logSw: | -3.9014 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.781 |
| InChI Key: | PCRKDWBMLDAGIU-UHFFFAOYSA-N |