ethyl 7-(4-fluorophenyl)-5-methyl-4-{2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(4-fluorophenyl)-5-methyl-4-{2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-fluorophenyl)-5-methyl-4-{2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D529-0294 |
| Compound Name: | ethyl 7-(4-fluorophenyl)-5-methyl-4-{2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C21 H21 F N6 O3 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)F)n2c(ncn2)N(CC(Nc2ncc(C)s2)=O)C=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8321 |
| logD: | 3.8219 |
| logSw: | -3.6825 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.692 |
| InChI Key: | QTJUBJHCTKCOFB-GOSISDBHSA-N |