ethyl 4-[(2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]benzoate
ethyl 4-[(2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C202-1562 |
| Compound Name: | ethyl 4-[(2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]benzoate |
| Molecular Weight: | 560.07 |
| Molecular Formula: | C29 H26 Cl N5 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C1C(c2ccccc2)n2c(NC=1C)nc(n2)SCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4873 |
| logD: | 6.4868 |
| logSw: | -6.3179 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.344 |
| InChI Key: | BXDYEUZLUDYZKB-VWLOTQADSA-N |