6-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-(3-methylphenyl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
Chemical Structure Depiction of
6-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-(3-methylphenyl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
6-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-(3-methylphenyl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
Compound characteristics
Compound ID: | G861-0050 |
Compound Name: | 6-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-(3-methylphenyl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one |
Molecular Weight: | 438.44 |
Molecular Formula: | C25 H18 N4 O4 |
Smiles: | Cc1cccc(c1)c1nc2c3ccccc3N(CC(c3ccc4c(c3)OCO4)=O)C(n2n1)=O |
Stereo: | ACHIRAL |
logP: | 4.733 |
logD: | 4.733 |
logSw: | -4.5852 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 69.458 |
InChI Key: | CMZALUPBXZGCDU-UHFFFAOYSA-N |