2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-6,7,8-trimethoxy-3-(3-methylphenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-6,7,8-trimethoxy-3-(3-methylphenyl)quinazolin-4(3H)-one
2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-6,7,8-trimethoxy-3-(3-methylphenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V008-1166 |
| Compound Name: | 2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-6,7,8-trimethoxy-3-(3-methylphenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 476.59 |
| Molecular Formula: | C27 H28 N2 O4 S |
| Smiles: | Cc1cccc(c1)N1C(=Nc2c(cc(c(c2OC)OC)OC)C1=O)SCc1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.1332 |
| logD: | 6.1325 |
| logSw: | -5.41 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.972 |
| InChI Key: | CBXQJKWIMZEHQW-UHFFFAOYSA-N |