2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-cyclohexylacetamide
Chemical Structure Depiction of
2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-cyclohexylacetamide
2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-cyclohexylacetamide
Compound characteristics
Compound ID: | C656-0267 |
Compound Name: | 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-cyclohexylacetamide |
Molecular Weight: | 400.87 |
Molecular Formula: | C19 H21 Cl N6 O2 |
Smiles: | C1CCC(CC1)NC(CN1C=Nc2c(C1=O)nnn2Cc1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 2.1796 |
logD: | 2.1796 |
logSw: | -3.0229 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.219 |
InChI Key: | XRWSXIRXUSPTTM-UHFFFAOYSA-N |