7-(2-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(2-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(2-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0378 |
| Compound Name: | 7-(2-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 543.62 |
| Molecular Formula: | C29 H26 F N5 O3 S |
| Smiles: | CC1=C(C(c2ccccc2F)n2c(N1)nc(n2)SCC(c1ccc(C)cc1)=O)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6509 |
| logD: | 5.6505 |
| logSw: | -5.5141 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.77 |
| InChI Key: | XLRARLKXFATWNT-SANMLTNESA-N |