7-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1527 |
| Compound Name: | 7-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 445.6 |
| Molecular Formula: | C22 H27 N3 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(N1CCN(CC1)c1cccc(C)c1C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1697 |
| logD: | 4.1693 |
| logSw: | -4.1872 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.061 |
| InChI Key: | AFISMRYLVQGNBY-MRXNPFEDSA-N |