methyl 2-{2-[7-(benzylcarbamoyl)-2,4-dioxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[7-(benzylcarbamoyl)-2,4-dioxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[7-(benzylcarbamoyl)-2,4-dioxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C487-0266 |
| Compound Name: | methyl 2-{2-[7-(benzylcarbamoyl)-2,4-dioxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 526.55 |
| Molecular Formula: | C29 H26 N4 O6 |
| Smiles: | COC(c1ccccc1NC(CN1C(N(CC=C)C(c2ccc(cc12)C(NCc1ccccc1)=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2676 |
| logD: | 3.2552 |
| logSw: | -3.6901 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.555 |
| InChI Key: | YXCJQBMNDVXWSV-UHFFFAOYSA-N |