3-chloro-N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-chloro-N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
3-chloro-N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
Compound characteristics
Compound ID: | D433-1179 |
Compound Name: | 3-chloro-N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide |
Molecular Weight: | 423.86 |
Molecular Formula: | C21 H18 Cl N5 O3 |
Smiles: | CC1=CC(n2c(N1)nc(CN(C(c1cccc(c1)[Cl])=O)c1ccccc1OC)n2)=O |
Stereo: | ACHIRAL |
logP: | 2.7859 |
logD: | 0.1333 |
logSw: | -3.5874 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.676 |
InChI Key: | JTSMXQYFNKMVJU-UHFFFAOYSA-N |