2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4(3H)-one
2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V003-2186 |
| Compound Name: | 2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 492.59 |
| Molecular Formula: | C27 H28 N2 O5 S |
| Smiles: | Cc1ccc(CSC2=Nc3c(cc(c(c3OC)OC)OC)C(N2c2cccc(c2)OC)=O)cc1C |
| Stereo: | ACHIRAL |
| logP: | 5.7987 |
| logD: | 5.7986 |
| logSw: | -5.5175 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.516 |
| InChI Key: | PDADFGTUDDKEPA-UHFFFAOYSA-N |