3-{2-[(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid
Chemical Structure Depiction of
3-{2-[(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid
3-{2-[(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid
Compound characteristics
| Compound ID: | 6058-0096 |
| Compound Name: | 3-{2-[(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid |
| Molecular Weight: | 488.3 |
| Molecular Formula: | C24 H14 Br N3 O4 |
| Smiles: | C(=C1C(Nc2ccc(cc/12)[Br])=O)\C1=Nc2ccccc2C(N1c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8828 |
| logD: | 1.1932 |
| logSw: | -4.0252 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.246 |
| InChI Key: | WANOHXMUWRLZBU-UHFFFAOYSA-N |