2-(4-methoxyphenyl)-4-nitro-1-oxo-5-(pyrrolidin-1-yl)-2H-1lambda~5~,2,3-triazole
Chemical Structure Depiction of
2-(4-methoxyphenyl)-4-nitro-1-oxo-5-(pyrrolidin-1-yl)-2H-1lambda~5~,2,3-triazole
2-(4-methoxyphenyl)-4-nitro-1-oxo-5-(pyrrolidin-1-yl)-2H-1lambda~5~,2,3-triazole
Compound characteristics
| Compound ID: | C437-0221 |
| Compound Name: | 2-(4-methoxyphenyl)-4-nitro-1-oxo-5-(pyrrolidin-1-yl)-2H-1lambda~5~,2,3-triazole |
| Molecular Weight: | 305.29 |
| Molecular Formula: | C13 H15 N5 O4 |
| Smiles: | COc1ccc(cc1)n1nc(c(N2CCCC2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2665 |
| logD: | 2.2665 |
| logSw: | -2.3557 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.667 |
| InChI Key: | WGHVAAWYYFECJR-UHFFFAOYSA-N |