prop-2-en-1-yl 5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(2-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(2-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(2-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-7637 |
| Compound Name: | prop-2-en-1-yl 5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(2-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C24 H23 N5 O4 S |
| Smiles: | CC1=C(C(c2ccccc2[N+]([O-])=O)n2c(N1)nc(n2)SCc1cccc(C)c1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3634 |
| logD: | 5.3047 |
| logSw: | -5.4028 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.628 |
| InChI Key: | YWTXQSDETKODIG-NRFANRHFSA-N |