2-methoxy-4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}phenyl acetate
Chemical Structure Depiction of
2-methoxy-4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}phenyl acetate
2-methoxy-4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 8007-0031 |
| Compound Name: | 2-methoxy-4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}phenyl acetate |
| Molecular Weight: | 260.25 |
| Molecular Formula: | C12 H12 N4 O3 |
| Smiles: | CC(=O)Oc1ccc(/C=N/n2cnnc2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.2999 |
| logD: | 0.2933 |
| logSw: | -1.7869 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.674 |
| InChI Key: | FNXWOFPNKBCHHD-UHFFFAOYSA-N |