6,7,8-trimethoxy-2-{[(4-methylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
6,7,8-trimethoxy-2-{[(4-methylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
6,7,8-trimethoxy-2-{[(4-methylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V020-1837 |
| Compound Name: | 6,7,8-trimethoxy-2-{[(4-methylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 493.54 |
| Molecular Formula: | C25 H23 N3 O6 S |
| Smiles: | Cc1ccc(CSC2=Nc3c(cc(c(c3OC)OC)OC)C(N2c2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7285 |
| logD: | 4.7283 |
| logSw: | -4.6951 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.354 |
| InChI Key: | ICHMEDPDZMAINN-UHFFFAOYSA-N |