5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(2-methylpropyl)-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(2-methylpropyl)-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(2-methylpropyl)-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C314-0288 |
| Compound Name: | 5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(2-methylpropyl)-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C25 H29 N5 O S |
| Smiles: | CC(C)CC1C(=C(C)Nc2nc(nn12)SCc1cccc(C)c1)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8663 |
| logD: | 5.8652 |
| logSw: | -5.4112 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.814 |
| InChI Key: | BDVBVSQVSNXJDM-NRFANRHFSA-N |