1-(azepan-1-yl)-2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}ethan-1-one
1-(azepan-1-yl)-2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}ethan-1-one
Compound characteristics
Compound ID: | D458-0923 |
Compound Name: | 1-(azepan-1-yl)-2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}ethan-1-one |
Molecular Weight: | 408.56 |
Molecular Formula: | C23 H28 N4 O S |
Smiles: | Cc1ccc(cc1)c1csc(n1)n1c(C)c(CC(N2CCCCCC2)=O)c(C)n1 |
Stereo: | ACHIRAL |
logP: | 5.2405 |
logD: | 5.2378 |
logSw: | -4.9098 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 40.657 |
InChI Key: | YWBMENVAIJGZLH-UHFFFAOYSA-N |