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 |