ethyl 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}butanoate
Chemical Structure Depiction of
ethyl 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}butanoate
ethyl 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}butanoate
Compound characteristics
| Compound ID: | C656-0291 |
| Compound Name: | ethyl 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}butanoate |
| Molecular Weight: | 375.81 |
| Molecular Formula: | C17 H18 Cl N5 O3 |
| Smiles: | CCC(C(=O)OCC)N1C=Nc2c(C1=O)nnn2Cc1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3663 |
| logD: | 2.3662 |
| logSw: | -2.8965 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.138 |
| InChI Key: | CWIZMTBLWFPWQD-ZDUSSCGKSA-N |