N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-3-nitrobenzamide
N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V010-0242 |
| Compound Name: | N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-3-nitrobenzamide |
| Molecular Weight: | 567.64 |
| Molecular Formula: | C31 H26 F N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(C(Cc2ccccc2)NC(c2cccc(c2)[N+]([O-])=O)=O)nnc1SCc1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0974 |
| logD: | 6.0964 |
| logSw: | -5.4968 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.138 |
| InChI Key: | UAEYQJVLISIQLZ-NDEPHWFRSA-N |