2-(4-methoxyphenyl)-5-nitro-3-oxo-N-(1-phenylethyl)-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(4-methoxyphenyl)-5-nitro-3-oxo-N-(1-phenylethyl)-2H-1lambda~5~,2,3-triazol-4-amine
2-(4-methoxyphenyl)-5-nitro-3-oxo-N-(1-phenylethyl)-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0574 |
| Compound Name: | 2-(4-methoxyphenyl)-5-nitro-3-oxo-N-(1-phenylethyl)-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C17 H17 N5 O4 |
| Smiles: | CC(c1ccccc1)Nc1c(nn(c2ccc(cc2)OC)[n+]1[O-])[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.031 |
| logD: | 3.031 |
| logSw: | -3.3252 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.113 |
| InChI Key: | JJFAVSFXVHZLIA-LBPRGKRZSA-N |