ethyl 2-{[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 2-{[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
ethyl 2-{[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
Compound ID: | C663-0757 |
Compound Name: | ethyl 2-{[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
Molecular Weight: | 478.03 |
Molecular Formula: | C21 H24 Cl N5 O2 S2 |
Smiles: | CCC(C(=O)OCC)Sc1nnc(CSc2nc(C)cc(C)n2)n1c1ccc(cc1)[Cl] |
Stereo: | RACEMIC MIXTURE |
logP: | 4.8195 |
logD: | 4.8194 |
logSw: | -4.8383 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 63.62 |
InChI Key: | MEKZINDVMHSUCQ-KRWDZBQOSA-N |