3-{[2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propan-1-ol
Chemical Structure Depiction of
3-{[2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propan-1-ol
3-{[2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propan-1-ol
Compound characteristics
| Compound ID: | C301-0450 |
| Compound Name: | 3-{[2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propan-1-ol |
| Molecular Weight: | 309.28 |
| Molecular Formula: | C12 H15 N5 O5 |
| Smiles: | COc1ccc(cc1)n1nc(c(NCCCO)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7432 |
| logD: | 0.7432 |
| logSw: | -1.8013 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.718 |
| InChI Key: | LMABIHGDHRTXMW-UHFFFAOYSA-N |