4-{1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}-N-[(2-chlorophenyl)methyl]butanamide
Chemical Structure Depiction of
4-{1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}-N-[(2-chlorophenyl)methyl]butanamide
4-{1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}-N-[(2-chlorophenyl)methyl]butanamide
Compound characteristics
| Compound ID: | C260-2228 |
| Compound Name: | 4-{1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}-N-[(2-chlorophenyl)methyl]butanamide |
| Molecular Weight: | 569.44 |
| Molecular Formula: | C28 H26 Cl2 N4 O5 |
| Smiles: | COc1ccc(cc1NC(CN1C(N(CCCC(NCc2ccccc2[Cl])=O)C(c2ccccc12)=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6993 |
| logD: | 3.696 |
| logSw: | -4.0775 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.799 |
| InChI Key: | WHMFFOCJTYAWAC-UHFFFAOYSA-N |