2-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
2-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
2-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C437-0321 |
| Compound Name: | 2-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 369.38 |
| Molecular Formula: | C18 H19 N5 O4 |
| Smiles: | Cc1cccc(CCNc2c(nn(c3ccc(cc3)OC)[n+]2[O-])[N+]([O-])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4955 |
| logD: | 3.4955 |
| logSw: | -3.6966 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.791 |
| InChI Key: | HHODGBWANWRKBA-UHFFFAOYSA-N |