5-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
5-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
5-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | C756-0254 |
| Compound Name: | 5-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C23 H27 N3 O2 S |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(CN1C(CCSc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7154 |
| logD: | 3.7152 |
| logSw: | -3.914 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.821 |
| InChI Key: | SKPABKUIRICCAZ-SFHVURJKSA-N |