2-methyl-7-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
2-methyl-7-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
2-methyl-7-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-2286 |
| Compound Name: | 2-methyl-7-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C20 H22 N4 O5 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0933 |
| logD: | 3.0929 |
| logSw: | -3.5787 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.743 |
| InChI Key: | UZIDRZASHQKRKQ-CQSZACIVSA-N |