2-{4-[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
2-{4-[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0316 |
| Compound Name: | 2-{4-[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 516.55 |
| Molecular Formula: | C24 H25 F N4 O6 S |
| Smiles: | C1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)S(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9058 |
| logD: | 2.9058 |
| logSw: | -3.5728 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.823 |
| InChI Key: | XQZHTWOFBTZEAJ-UHFFFAOYSA-N |