N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)benzamide
Compound characteristics
| Compound ID: | C260-1162 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)benzamide |
| Molecular Weight: | 598.56 |
| Molecular Formula: | C32 H24 F2 N4 O6 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CN2C(c3ccccc3N(CC(Nc3ccc(cc3F)F)=O)C2=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0459 |
| logD: | 4.0385 |
| logSw: | -4.3172 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.247 |
| InChI Key: | LRGBNWVDVRCBAR-UHFFFAOYSA-N |