5-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
Chemical Structure Depiction of
5-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
5-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
Compound characteristics
| Compound ID: | E523-0024 |
| Compound Name: | 5-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C26 H26 N4 O2 S |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(CN1C(c2ccccc2Sc2c1cccn2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.895 |
| logD: | 3.8948 |
| logSw: | -3.8913 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.324 |
| InChI Key: | VJWBTHUVZBPURS-IBGZPJMESA-N |