5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
Chemical Structure Depiction of
5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
Compound characteristics
| Compound ID: | E523-0021 |
| Compound Name: | 5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one |
| Molecular Weight: | 479 |
| Molecular Formula: | C25 H23 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CN1C(c2ccccc2Sc2c1cccn2)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2664 |
| logD: | 4.2663 |
| logSw: | -4.4935 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.805 |
| InChI Key: | PXHRUEZXYCTHDM-UHFFFAOYSA-N |