methyl 2-{2-[3-(5-{[2-(4-chlorophenyl)ethyl]amino}-5-oxopentyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-(5-{[2-(4-chlorophenyl)ethyl]amino}-5-oxopentyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[3-(5-{[2-(4-chlorophenyl)ethyl]amino}-5-oxopentyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C260-1079 |
| Compound Name: | methyl 2-{2-[3-(5-{[2-(4-chlorophenyl)ethyl]amino}-5-oxopentyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 591.06 |
| Molecular Formula: | C31 H31 Cl N4 O6 |
| Smiles: | COC(c1ccccc1NC(CN1C(N(CCCCC(NCCc2ccc(cc2)[Cl])=O)C(c2ccccc12)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2726 |
| logD: | 3.2602 |
| logSw: | -3.9177 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.184 |
| InChI Key: | CQSAAOQUTGNUCB-UHFFFAOYSA-N |