N-(2,4-dimethylphenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(2,4-dimethylphenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0850 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 509.67 |
| Molecular Formula: | C30 H31 N5 O S |
| Smiles: | CC1=C(C(c2ccccc2)n2c(N1)nc(n2)SCc1cc(C)ccc1C)C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4771 |
| logD: | 7.4764 |
| logSw: | -5.5104 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.893 |
| InChI Key: | HUVMHIXZNSITSS-MHZLTWQESA-N |