N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0793 |
| Compound Name: | N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 541.74 |
| Molecular Formula: | C30 H31 N5 O S2 |
| Smiles: | CC1=C(C(c2ccc(cc2)SC)n2c(N1)nc(n2)SCc1cccc(C)c1)C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.6111 |
| logD: | 7.6105 |
| logSw: | -5.5254 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.893 |
| InChI Key: | YWJZPXQNSVRSMS-MHZLTWQESA-N |