ethyl 4-{[2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(2,4-dichlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(2,4-dichlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate
ethyl 4-{[2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(2,4-dichlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate
Compound characteristics
Compound ID: | C202-4107 |
Compound Name: | ethyl 4-{[2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(2,4-dichlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate |
Molecular Weight: | 646.95 |
Molecular Formula: | C29 H23 Cl3 F N5 O3 S |
Smiles: | CCOC(c1ccc(cc1)NC(C1C(c2ccc(cc2[Cl])[Cl])n2c(NC=1C)nc(n2)SCc1c(cccc1[Cl])F)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 8.3413 |
logD: | 8.341 |
logSw: | -6.4752 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.344 |
InChI Key: | BECPXEULPQXMIZ-VWLOTQADSA-N |