ethyl 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate
ethyl 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | 8010-0634 |
| Compound Name: | ethyl 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 415.9 |
| Molecular Formula: | C20 H18 Cl N3 O3 S |
| Smiles: | CCOC(C(C(C)=O)Sc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5021 |
| logD: | 4.4981 |
| logSw: | -4.7308 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.564 |
| InChI Key: | QNXUOYUGFNCKGN-KRWDZBQOSA-N |