methyl 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
methyl 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}butanoate
methyl 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: | C656-0292 |
| Compound Name: | methyl 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}butanoate |
| Molecular Weight: | 361.79 |
| Molecular Formula: | C16 H16 Cl N5 O3 |
| Smiles: | CCC(C(=O)OC)N1C=Nc2c(C1=O)nnn2Cc1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9183 |
| logD: | 1.9183 |
| logSw: | -2.6278 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.559 |
| InChI Key: | STVGGVSUSJNMBO-LBPRGKRZSA-N |