N-cyclohexyl-N-methyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-cyclohexyl-N-methyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-cyclohexyl-N-methyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0150 |
| Compound Name: | N-cyclohexyl-N-methyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 465.63 |
| Molecular Formula: | C22 H31 N3 O4 S2 |
| Smiles: | CN(C1CCCCC1)C(CN1C(CCSc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0574 |
| logD: | 3.0574 |
| logSw: | -3.524 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 62.973 |
| InChI Key: | WKWAQFAPULAEQV-UHFFFAOYSA-N |