benzyl [3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate
Chemical Structure Depiction of
benzyl [3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate
benzyl [3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate
Compound characteristics
| Compound ID: | C656-0611 |
| Compound Name: | benzyl [3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C20 H17 N5 O4 |
| Smiles: | COc1cccc(c1)n1c2c(C(N(CC(=O)OCc3ccccc3)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.3618 |
| logD: | 2.3618 |
| logSw: | -2.7184 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.236 |
| InChI Key: | SCECNMVMCCDVHC-UHFFFAOYSA-N |