9-(4-methylpiperazine-1-carbonyl)-6-(propan-2-yl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Chemical Structure Depiction of
9-(4-methylpiperazine-1-carbonyl)-6-(propan-2-yl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
9-(4-methylpiperazine-1-carbonyl)-6-(propan-2-yl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Compound characteristics
| Compound ID: | P617-0548 |
| Compound Name: | 9-(4-methylpiperazine-1-carbonyl)-6-(propan-2-yl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | CC(C)N1C(c2cccnc2Sc2cc(ccc12)C(N1CCN(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.009 |
| logD: | 1.8783 |
| logSw: | -2.7591 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.57 |
| InChI Key: | IPSCAZGYJOAFRL-UHFFFAOYSA-N |