N-(2-methoxyethyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
N-(2-methoxyethyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
N-(2-methoxyethyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1355 |
| Compound Name: | N-(2-methoxyethyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 309.28 |
| Molecular Formula: | C12 H15 N5 O5 |
| Smiles: | COCCNc1c(nn(c2ccc(cc2)OC)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4642 |
| logD: | 1.4642 |
| logSw: | -2.0174 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.405 |
| InChI Key: | JYSAMYSZMVHVAB-UHFFFAOYSA-N |