7-[4-(4-chlorophenyl)piperazine-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-(4-chlorophenyl)piperazine-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-(4-chlorophenyl)piperazine-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1484 |
| Compound Name: | 7-[4-(4-chlorophenyl)piperazine-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 451.99 |
| Molecular Formula: | C20 H22 Cl N3 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(N1CCN(CC1)c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7624 |
| logD: | 3.762 |
| logSw: | -4.2621 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.361 |
| InChI Key: | XTEYCZZEEROMCX-CQSZACIVSA-N |