3-(2,5-dichlorophenyl)-6,7,8-trimethoxy-2-{[(3-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(2,5-dichlorophenyl)-6,7,8-trimethoxy-2-{[(3-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-(2,5-dichlorophenyl)-6,7,8-trimethoxy-2-{[(3-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V001-2173 |
| Compound Name: | 3-(2,5-dichlorophenyl)-6,7,8-trimethoxy-2-{[(3-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 517.43 |
| Molecular Formula: | C25 H22 Cl2 N2 O4 S |
| Smiles: | Cc1cccc(CSC2=Nc3c(cc(c(c3OC)OC)OC)C(N2c2cc(ccc2[Cl])[Cl])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4287 |
| logD: | 6.4287 |
| logSw: | -6.1653 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.671 |
| InChI Key: | PCOOOCWCKHKWAR-UHFFFAOYSA-N |