prop-2-en-1-yl 7-(4-chlorophenyl)-2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 7-(4-chlorophenyl)-2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 7-(4-chlorophenyl)-2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-7639 |
| Compound Name: | prop-2-en-1-yl 7-(4-chlorophenyl)-2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 434.9 |
| Molecular Formula: | C19 H19 Cl N4 O4 S |
| Smiles: | CC1=C(C(c2ccc(cc2)[Cl])n2c(N1)nc(n2)SCC(=O)OC)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5109 |
| logD: | 3.4522 |
| logSw: | -4.2691 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.398 |
| InChI Key: | QPRYKRULMUCXBD-INIZCTEOSA-N |