2-(3-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
2-(3-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
2-(3-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0956 |
| Compound Name: | 2-(3-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 373.8 |
| Molecular Formula: | C17 H16 Cl N5 O3 |
| Smiles: | Cc1ccc(CCNc2c(nn(c3cccc(c3)[Cl])[n+]2[O-])[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9546 |
| logD: | 3.9546 |
| logSw: | -4.2177 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.247 |
| InChI Key: | XRRXGASDGJIDPK-UHFFFAOYSA-N |