methyl 2-{2-[3-(4-{[(2-chlorophenyl)methyl]amino}-4-oxobutyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-(4-{[(2-chlorophenyl)methyl]amino}-4-oxobutyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[3-(4-{[(2-chlorophenyl)methyl]amino}-4-oxobutyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C260-2519 |
| Compound Name: | methyl 2-{2-[3-(4-{[(2-chlorophenyl)methyl]amino}-4-oxobutyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 563.01 |
| Molecular Formula: | C29 H27 Cl N4 O6 |
| Smiles: | COC(c1ccccc1NC(CN1C(N(CCCC(NCc2ccccc2[Cl])=O)C(c2ccccc12)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.171 |
| logD: | 3.1586 |
| logSw: | -3.6179 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.342 |
| InChI Key: | ALHBCUWBODTPFE-UHFFFAOYSA-N |