5-[2-methoxy-4-(prop-1-en-1-yl)phenoxy]-1-methyl-3-nitro-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[2-methoxy-4-(prop-1-en-1-yl)phenoxy]-1-methyl-3-nitro-1H-1,2,4-triazole
5-[2-methoxy-4-(prop-1-en-1-yl)phenoxy]-1-methyl-3-nitro-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8015-6041 |
| Compound Name: | 5-[2-methoxy-4-(prop-1-en-1-yl)phenoxy]-1-methyl-3-nitro-1H-1,2,4-triazole |
| Molecular Weight: | 290.28 |
| Molecular Formula: | C13 H14 N4 O4 |
| Smiles: | C/C=C/c1ccc(c(c1)OC)Oc1nc(nn1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8412 |
| logD: | 2.8412 |
| logSw: | -3.387 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.656 |
| InChI Key: | JKAISYBYGLKADV-UHFFFAOYSA-N |