prop-2-en-1-yl 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(pyridin-4-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(pyridin-4-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(pyridin-4-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-1701 |
| Compound Name: | prop-2-en-1-yl 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(pyridin-4-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C22 H20 Cl N5 O2 S |
| Smiles: | CC1=C(C(c2ccncc2)n2c(N1)nc(n2)SCc1ccccc1[Cl])C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3992 |
| logD: | 4.3404 |
| logSw: | -4.4652 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.976 |
| InChI Key: | MUTABQRNXDUXGI-IBGZPJMESA-N |