N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0419 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C17 H21 N5 O4 |
| Smiles: | COc1ccc(cc1)n1nc(c(NCCC2CCCCC=2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2753 |
| logD: | 3.2753 |
| logSw: | -3.4852 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.983 |
| InChI Key: | VJNCCYQQDJEHCF-UHFFFAOYSA-N |