4-{1-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
Chemical Structure Depiction of
4-{1-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
4-{1-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | C260-2809 |
| Compound Name: | 4-{1-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide |
| Molecular Weight: | 553.44 |
| Molecular Formula: | C28 H26 Cl2 N4 O4 |
| Smiles: | Cc1ccc(CNC(CCCN2C(c3ccccc3N(CC(Nc3cc(ccc3[Cl])[Cl])=O)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9454 |
| logD: | 3.9364 |
| logSw: | -4.2771 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.168 |
| InChI Key: | PBOXXGQJHUSYHR-UHFFFAOYSA-N |