7-{4-[cyclohexyl(methyl)amino]piperidine-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-{4-[cyclohexyl(methyl)amino]piperidine-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-{4-[cyclohexyl(methyl)amino]piperidine-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-2768 |
| Compound Name: | 7-{4-[cyclohexyl(methyl)amino]piperidine-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 437.62 |
| Molecular Formula: | C21 H31 N3 O3 S2 |
| Smiles: | CN(C1CCCCC1)C1CCN(CC1)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4855 |
| logD: | 1.2976 |
| logSw: | -3.8778 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.748 |
| InChI Key: | IXSIIWANIUDGHU-UHFFFAOYSA-N |