ethyl ({5-(4-chlorophenyl)-4-[4-(propan-2-yl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({5-(4-chlorophenyl)-4-[4-(propan-2-yl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({5-(4-chlorophenyl)-4-[4-(propan-2-yl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 8019-1415 |
| Compound Name: | ethyl ({5-(4-chlorophenyl)-4-[4-(propan-2-yl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 415.94 |
| Molecular Formula: | C21 H22 Cl N3 O2 S |
| Smiles: | CCOC(CSc1nnc(c2ccc(cc2)[Cl])n1c1ccc(cc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9316 |
| logD: | 5.9316 |
| logSw: | -6.3343 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.143 |
| InChI Key: | ODNXENUOGDOEKS-UHFFFAOYSA-N |