10-[(4-fluorophenyl)methyl]-8-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
10-[(4-fluorophenyl)methyl]-8-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-[(4-fluorophenyl)methyl]-8-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0798 |
| Compound Name: | 10-[(4-fluorophenyl)methyl]-8-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 584.63 |
| Molecular Formula: | C31 H25 F N4 O5 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2=O)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1477 |
| logD: | 4.1477 |
| logSw: | -4.3446 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.075 |
| InChI Key: | MGWFPLDYZDULMP-UHFFFAOYSA-N |