ethyl 4-{[2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C202-4106 |
| Compound Name: | ethyl 4-{[2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate |
| Molecular Weight: | 612.51 |
| Molecular Formula: | C29 H24 Cl2 F N5 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C1C(c2ccc(cc2)[Cl])n2c(NC=1C)nc(n2)SCc1c(cccc1[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5096 |
| logD: | 7.5091 |
| logSw: | -6.4429 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.344 |
| InChI Key: | AQGXUURFSBQGNU-VWLOTQADSA-N |