ethyl 4-[2-(butylamino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-(butylamino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 4-[2-(butylamino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D529-0201 |
| Compound Name: | ethyl 4-[2-(butylamino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C21 H26 F N5 O3 |
| Smiles: | CCCCNC(CN1C(C)=C(C(c2ccc(cc2)F)n2c1ncn2)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9738 |
| logD: | 2.9738 |
| logSw: | -3.0338 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.559 |
| InChI Key: | OCWCBRUWHCLNIB-IBGZPJMESA-N |