methyl 2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]propanoate
Chemical Structure Depiction of
methyl 2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]propanoate
methyl 2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]propanoate
Compound characteristics
| Compound ID: | C656-0523 |
| Compound Name: | methyl 2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]propanoate |
| Molecular Weight: | 333.73 |
| Molecular Formula: | C14 H12 Cl N5 O3 |
| Smiles: | CC(C(=O)OC)N1C=Nc2c(C1=O)nnn2c1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3342 |
| logD: | 1.3342 |
| logSw: | -2.3771 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.11 |
| InChI Key: | KLDSBYYBUJKJKB-QMMMGPOBSA-N |