ethyl 4-{2-[(butan-2-yl)amino]-2-oxoethyl}-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 4-{2-[(butan-2-yl)amino]-2-oxoethyl}-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 4-{2-[(butan-2-yl)amino]-2-oxoethyl}-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D529-0085 |
| Compound Name: | ethyl 4-{2-[(butan-2-yl)amino]-2-oxoethyl}-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C21 H27 N5 O3 |
| Smiles: | CCC(C)NC(CN1C(C)=C(C(c2ccccc2)n2c1ncn2)C(=O)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7679 |
| logD: | 2.7679 |
| logSw: | -2.8825 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.159 |
| InChI Key: | ITZYSUMQTXYMQA-UHFFFAOYSA-N |