N-(4-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(4-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-1213 |
| Compound Name: | N-(4-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 540.45 |
| Molecular Formula: | C26 H20 Cl2 F N5 O S |
| Smiles: | CC1=C(C(c2ccc(cc2)F)n2c(N1)nc(n2)SCc1cccc(c1)[Cl])C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8436 |
| logD: | 6.8431 |
| logSw: | -6.5031 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.591 |
| InChI Key: | NNKOZMNIVKIAFN-QHCPKHFHSA-N |