4-chloro-N-(4-{5-(3-fluorophenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-(4-{5-(3-fluorophenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
4-chloro-N-(4-{5-(3-fluorophenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V016-5686 |
| Compound Name: | 4-chloro-N-(4-{5-(3-fluorophenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide |
| Molecular Weight: | 495.9 |
| Molecular Formula: | C24 H19 Cl F N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)Oc1nc(c2cccc(c2)F)n(c2ccc(cc2)NC(c2ccc(c(c2)[N+]([O-])=O)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7993 |
| logD: | 5.7886 |
| logSw: | -6.122 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.664 |
| InChI Key: | JQYAWJMHQILKMA-UHFFFAOYSA-N |