10-[(2,5-dimethylphenyl)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-[(2,5-dimethylphenyl)methyl]-8-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(2,5-dimethylphenyl)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: | C530-1326 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-8-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 610.69 |
| Molecular Formula: | C33 H30 N4 O6 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2943 |
| logD: | 5.2943 |
| logSw: | -5.1958 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.671 |
| InChI Key: | FRBXOPDZLBROAT-UHFFFAOYSA-N |