1-[5-(2H-1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-(2H-1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
1-[5-(2H-1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Compound characteristics
Compound ID: | 5868-0093 |
Compound Name: | 1-[5-(2H-1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one |
Molecular Weight: | 463.92 |
Molecular Formula: | C25 H22 Cl N3 O4 |
Smiles: | CCOc1ccc(cc1)N1C(c2ccc3c(c2)OCO3)N(c2ccc(cc2)[Cl])N=C1C(C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.9742 |
logD: | 5.9742 |
logSw: | -6.3241 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 54.922 |
InChI Key: | MNIUNTIYBRXBBA-VWLOTQADSA-N |