2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4(3H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V020-1894 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 527 |
| Molecular Formula: | C26 H23 Cl N2 O6 S |
| Smiles: | COc1cccc(c1)N1C(=Nc2c(cc(c(c2OC)OC)OC)C1=O)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9407 |
| logD: | 4.9404 |
| logSw: | -5.0926 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.763 |
| InChI Key: | VVIFCYKLTNFPFE-UHFFFAOYSA-N |