4-({[6,7,8-trimethoxy-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[6,7,8-trimethoxy-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
4-({[6,7,8-trimethoxy-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V020-1847 |
| Compound Name: | 4-({[6,7,8-trimethoxy-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C26 H23 N3 O5 S |
| Smiles: | COc1ccc(cc1)N1C(=Nc2c(cc(c(c2OC)OC)OC)C1=O)SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0162 |
| logD: | 4.0161 |
| logSw: | -4.3393 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.572 |
| InChI Key: | IXUYYJLSVYQONB-UHFFFAOYSA-N |