N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0220 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 389.8 |
| Molecular Formula: | C17 H16 Cl N5 O4 |
| Smiles: | Cc1cccc(c1)n1nc(c(Nc2cc(C)c(cc2OC)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7317 |
| logD: | 4.7316 |
| logSw: | -4.9926 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.016 |
| InChI Key: | IGOIITUNOVUBFB-UHFFFAOYSA-N |