N-(4-chlorophenyl)-7-(4-fluorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-7-(4-fluorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(4-chlorophenyl)-7-(4-fluorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-1073 |
| Compound Name: | N-(4-chlorophenyl)-7-(4-fluorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 520.03 |
| Molecular Formula: | C27 H23 Cl F N5 O S |
| Smiles: | CC1=C(C(c2ccc(cc2)F)n2c(N1)nc(n2)SCc1cccc(C)c1)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8348 |
| logD: | 6.8343 |
| logSw: | -6.4668 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.591 |
| InChI Key: | MZNQPDZYFACSTF-DEOSSOPVSA-N |