3-benzyl-2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-6,7,8-trimethoxyquinazolin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-6,7,8-trimethoxyquinazolin-4(3H)-one
3-benzyl-2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-6,7,8-trimethoxyquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V009-5081 |
| Compound Name: | 3-benzyl-2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-6,7,8-trimethoxyquinazolin-4(3H)-one |
| Molecular Weight: | 476.59 |
| Molecular Formula: | C27 H28 N2 O4 S |
| Smiles: | Cc1ccc(CSC2=Nc3c(cc(c(c3OC)OC)OC)C(N2Cc2ccccc2)=O)cc1C |
| Stereo: | ACHIRAL |
| logP: | 6.2261 |
| logD: | 6.2261 |
| logSw: | -5.4714 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.583 |
| InChI Key: | HTXCNNZZJCEQTM-UHFFFAOYSA-N |