2-[(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-6-iodo-3-methylquinazolin-4(3H)-one
Chemical Structure Depiction of
2-[(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-6-iodo-3-methylquinazolin-4(3H)-one
2-[(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-6-iodo-3-methylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 4386-4389 |
| Compound Name: | 2-[(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-6-iodo-3-methylquinazolin-4(3H)-one |
| Molecular Weight: | 508.11 |
| Molecular Formula: | C18 H11 Br I N3 O2 |
| Smiles: | CN1C(/C=C2C(Nc3ccc(cc/23)[Br])=O)=Nc2ccc(cc2C1=O)I |
| Stereo: | ACHIRAL |
| logP: | 4.4097 |
| logD: | 4.4097 |
| logSw: | -4.3358 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.486 |
| InChI Key: | ZHXPDCOVCATYSZ-UHFFFAOYSA-N |