ethyl 4-{[7-(4-chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[7-(4-chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate
ethyl 4-{[7-(4-chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C202-1565 |
| Compound Name: | ethyl 4-{[7-(4-chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate |
| Molecular Weight: | 594.52 |
| Molecular Formula: | C29 H25 Cl2 N5 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C1C(c2ccc(cc2)[Cl])n2c(NC=1C)nc(n2)SCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0777 |
| logD: | 7.0772 |
| logSw: | -6.5139 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.344 |
| InChI Key: | XSCLRKAHQBRZPQ-VWLOTQADSA-N |