1-{7-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
1-{7-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G269-0102 |
| Compound Name: | 1-{7-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one |
| Molecular Weight: | 459.63 |
| Molecular Formula: | C23 H29 N3 O3 S2 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)S(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2116 |
| logD: | 4.2116 |
| logSw: | -4.2861 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.811 |
| InChI Key: | DKRGGPDSRBSWGE-SFHVURJKSA-N |