ethyl 4-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]anilino}-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]anilino}-4-oxobutanoate
ethyl 4-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]anilino}-4-oxobutanoate
Compound characteristics
| Compound ID: | V004-5562 |
| Compound Name: | ethyl 4-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]anilino}-4-oxobutanoate |
| Molecular Weight: | 505.4 |
| Molecular Formula: | C24 H26 Cl2 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(Nc1ccc(cc1)n1c(c2ccc(c(c2)[Cl])[Cl])nc(n1)OCC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0974 |
| logD: | 6.0974 |
| logSw: | -6.3199 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.497 |
| InChI Key: | ZJBIDGPINUZDAF-UHFFFAOYSA-N |