3-(4-methylphenyl)-2-[2-(6-nitro-2H-1,3-benzodioxol-5-yl)ethenyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(4-methylphenyl)-2-[2-(6-nitro-2H-1,3-benzodioxol-5-yl)ethenyl]quinazolin-4(3H)-one
3-(4-methylphenyl)-2-[2-(6-nitro-2H-1,3-benzodioxol-5-yl)ethenyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K505-0175 |
| Compound Name: | 3-(4-methylphenyl)-2-[2-(6-nitro-2H-1,3-benzodioxol-5-yl)ethenyl]quinazolin-4(3H)-one |
| Molecular Weight: | 427.42 |
| Molecular Formula: | C24 H17 N3 O5 |
| Smiles: | Cc1ccc(cc1)N1C(/C=C/c2cc3c(cc2[N+]([O-])=O)OCO3)=Nc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.1087 |
| logD: | 4.1085 |
| logSw: | -4.3976 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.79 |
| InChI Key: | YCPSHERFGBWUNO-UHFFFAOYSA-N |