2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(3-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(3-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(3-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-2445 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(3-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 536.03 |
| Molecular Formula: | C27 H23 Cl F N5 O2 S |
| Smiles: | CC1=C(C(c2cccc(c2)F)n2c(N1)nc(n2)SCc1cccc(c1)[Cl])C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2882 |
| logD: | 6.2876 |
| logSw: | -6.2283 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.134 |
| InChI Key: | USMXESCEWOOGFN-DEOSSOPVSA-N |