10-[(4-chlorophenyl)methyl]-8-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-8-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(4-chlorophenyl)methyl]-8-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-0930 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-8-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 617.08 |
| Molecular Formula: | C31 H25 Cl N4 O6 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.843 |
| logD: | 4.843 |
| logSw: | -4.9966 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.671 |
| InChI Key: | ZGLVXFXKWXALMG-UHFFFAOYSA-N |