6,7,8-trimethoxy-2-{[(3-methylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
6,7,8-trimethoxy-2-{[(3-methylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
6,7,8-trimethoxy-2-{[(3-methylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V020-1849 |
| Compound Name: | 6,7,8-trimethoxy-2-{[(3-methylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 493.54 |
| Molecular Formula: | C25 H23 N3 O6 S |
| Smiles: | Cc1cccc(CSC2=Nc3c(cc(c(c3OC)OC)OC)C(N2c2ccc(cc2)[N+]([O-])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2292 |
| logD: | 5.229 |
| logSw: | -5.1251 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.354 |
| InChI Key: | ZOCAALUCWXGNLM-UHFFFAOYSA-N |