ethyl 5-methyl-4-{2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-4-{2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-4-{2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D529-0093 |
| Compound Name: | ethyl 5-methyl-4-{2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 438.51 |
| Molecular Formula: | C21 H22 N6 O3 S |
| Smiles: | CCOC(C1C(c2ccccc2)n2c(ncn2)N(CC(Nc2nc(C)cs2)=O)C=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2766 |
| logD: | 3.2665 |
| logSw: | -3.1664 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.977 |
| InChI Key: | KNIUMFJDLRVLIN-GOSISDBHSA-N |