[4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
[4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V003-6568 |
| Compound Name: | [4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 608.69 |
| Molecular Formula: | C33 H29 F N6 O3 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1ccc(CSc2nnc(c3ccccc3[N+]([O-])=O)n2Cc2ccccc2)cc1)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.4215 |
| logD: | 5.4215 |
| logSw: | -5.7131 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.658 |
| InChI Key: | GNHLGTYIMRHZHR-UHFFFAOYSA-N |