4-{[1-(cyanomethyl)-6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}-N-phenylbenzamide
Chemical Structure Depiction of
4-{[1-(cyanomethyl)-6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}-N-phenylbenzamide
4-{[1-(cyanomethyl)-6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}-N-phenylbenzamide
Compound characteristics
| Compound ID: | G345-0749 |
| Compound Name: | 4-{[1-(cyanomethyl)-6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}-N-phenylbenzamide |
| Molecular Weight: | 470.48 |
| Molecular Formula: | C26 H22 N4 O5 |
| Smiles: | COc1cc2C(N(Cc3ccc(cc3)C(Nc3ccccc3)=O)C(N(CC#N)c2cc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2231 |
| logD: | 3.223 |
| logSw: | -3.6937 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.361 |
| InChI Key: | VASQQKIHNJMROP-UHFFFAOYSA-N |