N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0189 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 373.8 |
| Molecular Formula: | C17 H16 Cl N5 O3 |
| Smiles: | Cc1cccc(c1)n1nc(c(NCCc2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9849 |
| logD: | 3.9849 |
| logSw: | -4.363 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.247 |
| InChI Key: | XUQIWJRATKXLPP-UHFFFAOYSA-N |