N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C360-0077 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 359.77 |
| Molecular Formula: | C16 H14 Cl N5 O3 |
| Smiles: | Cc1ccccc1n1nc(c(NCc2ccccc2[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.707 |
| logD: | 3.707 |
| logSw: | -3.8688 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.105 |
| InChI Key: | YQHBDHMVECMEJP-UHFFFAOYSA-N |