N-cyclohexyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-cyclohexyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-cyclohexyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0123 |
| Compound Name: | N-cyclohexyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 451.61 |
| Molecular Formula: | C21 H29 N3 O4 S2 |
| Smiles: | C1CCC(CC1)NC(CN1C(CCSc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1261 |
| logD: | 3.1261 |
| logSw: | -3.6334 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.224 |
| InChI Key: | MCUOIWMKLDFDAS-UHFFFAOYSA-N |