3-(4-methylphenyl)-3-oxo-2-(4-oxo-3,4-dihydroquinazolin-2(1H)-ylidene)propanenitrile
Chemical Structure Depiction of
3-(4-methylphenyl)-3-oxo-2-(4-oxo-3,4-dihydroquinazolin-2(1H)-ylidene)propanenitrile
3-(4-methylphenyl)-3-oxo-2-(4-oxo-3,4-dihydroquinazolin-2(1H)-ylidene)propanenitrile
Compound characteristics
| Compound ID: | 2798-1509 |
| Compound Name: | 3-(4-methylphenyl)-3-oxo-2-(4-oxo-3,4-dihydroquinazolin-2(1H)-ylidene)propanenitrile |
| Molecular Weight: | 303.32 |
| Molecular Formula: | C18 H13 N3 O2 |
| Smiles: | Cc1ccc(cc1)C(C(\C#N)=C1NC(c2ccccc2N/1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7484 |
| logD: | 2.283 |
| logSw: | -3.6254 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.235 |
| InChI Key: | LYYKFPJATABGLJ-SAPNQHFASA-N |