2-{[2,4-dioxo-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroquinazolin-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[2,4-dioxo-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroquinazolin-1(2H)-yl]methyl}benzonitrile
2-{[2,4-dioxo-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroquinazolin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C200-0443 |
| Compound Name: | 2-{[2,4-dioxo-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroquinazolin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 443.46 |
| Molecular Formula: | C25 H21 N3 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)N1C(c2ccccc2N(Cc2ccccc2C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.923 |
| logD: | 2.923 |
| logSw: | -3.5581 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.689 |
| InChI Key: | LMLAJROUSQMRBI-UHFFFAOYSA-N |