methyl 2-{2-[7-{[(2-chlorophenyl)methyl]carbamoyl}-3-(4-methylphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[7-{[(2-chlorophenyl)methyl]carbamoyl}-3-(4-methylphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[7-{[(2-chlorophenyl)methyl]carbamoyl}-3-(4-methylphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C487-0127 |
| Compound Name: | methyl 2-{2-[7-{[(2-chlorophenyl)methyl]carbamoyl}-3-(4-methylphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 611.05 |
| Molecular Formula: | C33 H27 Cl N4 O6 |
| Smiles: | Cc1ccc(cc1)N1C(c2ccc(cc2N(CC(Nc2ccccc2C(=O)OC)=O)C1=O)C(NCc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.773 |
| logD: | 4.7629 |
| logSw: | -4.7969 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.694 |
| InChI Key: | LAQZFEOCAQFREM-UHFFFAOYSA-N |