N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0491 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 405.8 |
| Molecular Formula: | C17 H16 Cl N5 O5 |
| Smiles: | Cc1cc(c(cc1[Cl])OC)Nc1c(nn(c2ccc(cc2)OC)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2463 |
| logD: | 4.2463 |
| logSw: | -4.6046 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.56 |
| InChI Key: | ONGJBJBDCMVBHF-UHFFFAOYSA-N |