7-(3-chlorophenyl)-N-(2,4-dimethylphenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(3-chlorophenyl)-N-(2,4-dimethylphenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(3-chlorophenyl)-N-(2,4-dimethylphenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0857 |
| Compound Name: | 7-(3-chlorophenyl)-N-(2,4-dimethylphenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 544.12 |
| Molecular Formula: | C30 H30 Cl N5 O S |
| Smiles: | CC1=C(C(c2cccc(c2)[Cl])n2c(N1)nc(n2)SCc1cc(C)ccc1C)C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.0757 |
| logD: | 8.0751 |
| logSw: | -6.3688 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.893 |
| InChI Key: | QYIHFFWAVLSNCX-MHZLTWQESA-N |