3-(2-fluorophenyl)-6,7,8-trimethoxy-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(2-fluorophenyl)-6,7,8-trimethoxy-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-(2-fluorophenyl)-6,7,8-trimethoxy-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V005-6246 |
| Compound Name: | 3-(2-fluorophenyl)-6,7,8-trimethoxy-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 497.5 |
| Molecular Formula: | C24 H20 F N3 O6 S |
| Smiles: | COc1cc2C(N(C(=Nc2c(c1OC)OC)SCc1ccc(cc1)[N+]([O-])=O)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3556 |
| logD: | 4.3555 |
| logSw: | -4.513 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.053 |
| InChI Key: | XQKSSFSUEQJBBM-UHFFFAOYSA-N |