7-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1766 |
| Compound Name: | 7-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C22 H25 N3 O4 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N1CCN(CC1)c1ccc(cc1)C(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9149 |
| logD: | 2.9145 |
| logSw: | -3.4522 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.245 |
| InChI Key: | ZTSVVAKAPTZWHZ-OAHLLOKOSA-N |