7-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-2680 |
| Compound Name: | 7-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 431.57 |
| Molecular Formula: | C21 H25 N3 O3 S2 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4558 |
| logD: | 3.4555 |
| logSw: | -3.8204 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.58 |
| InChI Key: | GTQUPYFEQFSHJB-INIZCTEOSA-N |