10-[(2-fluorophenyl)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-fluorophenyl)methyl]-8-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(2-fluorophenyl)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: | C530-1062 |
| Compound Name: | 10-[(2-fluorophenyl)methyl]-8-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 600.63 |
| Molecular Formula: | C31 H25 F N4 O6 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2(=O)=O)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3887 |
| logD: | 4.3887 |
| logSw: | -4.4499 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.671 |
| InChI Key: | KURRJIUZYDVJMB-UHFFFAOYSA-N |