N-(3-chlorophenyl)-2-[5,7-dimethyl-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[5,7-dimethyl-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
N-(3-chlorophenyl)-2-[5,7-dimethyl-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
Compound characteristics
Compound ID: | D458-0518 |
Compound Name: | N-(3-chlorophenyl)-2-[5,7-dimethyl-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide |
Molecular Weight: | 397.88 |
Molecular Formula: | C19 H16 Cl N5 O S |
Smiles: | Cc1c(CC(Nc2cccc(c2)[Cl])=O)c(C)n2c(n1)nc(c1cccs1)n2 |
Stereo: | ACHIRAL |
logP: | 4.0889 |
logD: | 4.0879 |
logSw: | -4.3435 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.001 |
InChI Key: | JOKJKLUYQHAOQN-UHFFFAOYSA-N |