N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1-[2-(3-chloroanilino)-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-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)benzamide
Compound characteristics
| Compound ID: | C260-1158 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)benzamide |
| Molecular Weight: | 597.03 |
| Molecular Formula: | C32 H25 Cl N4 O6 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CN2C(c3ccccc3N(CC(Nc3cccc(c3)[Cl])=O)C2=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8836 |
| logD: | 4.8835 |
| logSw: | -4.9127 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.945 |
| InChI Key: | GMMFOQXEOLMSJA-UHFFFAOYSA-N |