ethyl [5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetate
Chemical Structure Depiction of
ethyl [5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetate
ethyl [5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetate
Compound characteristics
| Compound ID: | 8018-2486 |
| Compound Name: | ethyl [5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetate |
| Molecular Weight: | 265.7 |
| Molecular Formula: | C12 H12 Cl N3 O2 |
| Smiles: | CCOC(Cc1nnc(c2ccc(cc2)[Cl])[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3741 |
| logD: | 2.324 |
| logSw: | -3.3923 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.173 |
| InChI Key: | PAFGUSGWIQASIP-UHFFFAOYSA-N |