N-[(3-methoxyphenyl)methyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
N-[(3-methoxyphenyl)methyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C360-0087 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C17 H17 N5 O4 |
| Smiles: | Cc1ccccc1n1nc(c(NCc2cccc(c2)OC)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0222 |
| logD: | 3.0222 |
| logSw: | -3.3183 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.648 |
| InChI Key: | IYDYATCBXUFPID-UHFFFAOYSA-N |