3-methyl-7-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
3-methyl-7-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
3-methyl-7-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-3276 |
| Compound Name: | 3-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: | CC1CSc2ccc(cc2NC1=O)S(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2985 |
| logD: | 3.2981 |
| logSw: | -3.8132 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.8 |
| InChI Key: | IBCOXNACKIEOEG-CQSZACIVSA-N |