N-[(2-chlorophenyl)methyl]-2-[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
N-[(2-chlorophenyl)methyl]-2-[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Compound characteristics
Compound ID: | C656-0579 |
Compound Name: | N-[(2-chlorophenyl)methyl]-2-[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide |
Molecular Weight: | 424.84 |
Molecular Formula: | C20 H17 Cl N6 O3 |
Smiles: | COc1cccc(c1)n1c2c(C(N(CC(NCc3ccccc3[Cl])=O)C=N2)=O)nn1 |
Stereo: | ACHIRAL |
logP: | 2.4119 |
logD: | 2.4119 |
logSw: | -3.2021 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 85.174 |
InChI Key: | YVMFGCGRQCEIGV-UHFFFAOYSA-N |