N-butyl-2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-ethylacetamide
Chemical Structure Depiction of
N-butyl-2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-ethylacetamide
N-butyl-2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-ethylacetamide
Compound characteristics
Compound ID: | P032-1112 |
Compound Name: | N-butyl-2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-ethylacetamide |
Molecular Weight: | 401.89 |
Molecular Formula: | C20 H24 Cl N5 O2 |
Smiles: | CCCCN(CC)C(CN1C(N2C(C=C(C)N=C2c2cccc(c2)[Cl])=N1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5202 |
logD: | 3.5025 |
logSw: | -3.7313 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 57.654 |
InChI Key: | GSXDPYQLOHPSOC-UHFFFAOYSA-N |