2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N,7-bis(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N,7-bis(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N,7-bis(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G113-0035 |
| Compound Name: | 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N,7-bis(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 541.67 |
| Molecular Formula: | C30 H31 N5 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)OC)n2c(N1)nc(n2)SCc1ccc(C)cc1C)C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6178 |
| logD: | 6.6172 |
| logSw: | -5.5444 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.678 |
| InChI Key: | NAJNSLHBIYMRJG-MHZLTWQESA-N |