6-ethyl-9-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Chemical Structure Depiction of
6-ethyl-9-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
6-ethyl-9-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Compound characteristics
| Compound ID: | P617-0481 |
| Compound Name: | 6-ethyl-9-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C23 H28 N4 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)C(N1CCN(CC1)CC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0392 |
| logD: | 2.8502 |
| logSw: | -3.3937 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.91 |
| InChI Key: | DMKAIEJJHMLNQG-UHFFFAOYSA-N |