9-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-(propan-2-yl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Chemical Structure Depiction of
9-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-(propan-2-yl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
9-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-(propan-2-yl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Compound characteristics
| Compound ID: | P617-0613 |
| Compound Name: | 9-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-(propan-2-yl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C24 H30 N4 O2 S |
| Smiles: | CC(C)CN1CCN(CC1)C(c1ccc2c(c1)Sc1c(cccn1)C(N2C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.285 |
| logD: | 3.096 |
| logSw: | -3.6017 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.906 |
| InChI Key: | HLRFGIJROMHJED-UHFFFAOYSA-N |