2-{[3-(4-ethylphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(4-ethylphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]methyl}benzonitrile
2-{[3-(4-ethylphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C260-0666 |
| Compound Name: | 2-{[3-(4-ethylphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C24 H19 N3 O2 |
| Smiles: | CCc1ccc(cc1)N1C(c2ccccc2N(Cc2ccccc2C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0921 |
| logD: | 4.0921 |
| logSw: | -4.1562 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.712 |
| InChI Key: | OFELATULLJQZKE-UHFFFAOYSA-N |