N-[2-{5-bromo-2-[(prop-2-yn-1-yl)oxy]phenyl}-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-4-chlorobenzamide
Chemical Structure Depiction of
N-[2-{5-bromo-2-[(prop-2-yn-1-yl)oxy]phenyl}-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-4-chlorobenzamide
N-[2-{5-bromo-2-[(prop-2-yn-1-yl)oxy]phenyl}-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-4-chlorobenzamide
Compound characteristics
| Compound ID: | Y508-5941 |
| Compound Name: | N-[2-{5-bromo-2-[(prop-2-yn-1-yl)oxy]phenyl}-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-4-chlorobenzamide |
| Molecular Weight: | 510.77 |
| Molecular Formula: | C24 H17 Br Cl N3 O3 |
| Smiles: | C#CCOc1ccc(cc1C1Nc2ccccc2C(N1NC(c1ccc(cc1)[Cl])=O)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.287 |
| logD: | 3.3676 |
| logSw: | -5.8711 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.249 |
| InChI Key: | ROCZQUAZYDTKAH-QFIPXVFZSA-N |