6,7,8-trimethoxy-2-{[(2-methoxyphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
6,7,8-trimethoxy-2-{[(2-methoxyphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
6,7,8-trimethoxy-2-{[(2-methoxyphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V003-2244 |
| Compound Name: | 6,7,8-trimethoxy-2-{[(2-methoxyphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 509.54 |
| Molecular Formula: | C25 H23 N3 O7 S |
| Smiles: | COc1ccccc1CSC1=Nc2c(cc(c(c2OC)OC)OC)C(N1c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6867 |
| logD: | 4.6866 |
| logSw: | -4.6176 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.984 |
| InChI Key: | OSDWGDNGCABDHH-UHFFFAOYSA-N |