1-[7-{4-[methyl(propan-2-yl)amino]piperidine-1-sulfonyl}-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[7-{4-[methyl(propan-2-yl)amino]piperidine-1-sulfonyl}-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
1-[7-{4-[methyl(propan-2-yl)amino]piperidine-1-sulfonyl}-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G269-0311 |
| Compound Name: | 1-[7-{4-[methyl(propan-2-yl)amino]piperidine-1-sulfonyl}-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one |
| Molecular Weight: | 425.61 |
| Molecular Formula: | C20 H31 N3 O3 S2 |
| Smiles: | CC(C)N(C)C1CCN(CC1)S(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3304 |
| logD: | 0.739 |
| logSw: | -3.8115 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 50.75 |
| InChI Key: | WXTLIAJYNOVHBT-UHFFFAOYSA-N |