2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,7,8-trimethoxy-3-(3-methylphenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,7,8-trimethoxy-3-(3-methylphenyl)quinazolin-4(3H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,7,8-trimethoxy-3-(3-methylphenyl)quinazolin-4(3H)-one
Compound characteristics
Compound ID: | V020-1908 |
Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,7,8-trimethoxy-3-(3-methylphenyl)quinazolin-4(3H)-one |
Molecular Weight: | 511 |
Molecular Formula: | C26 H23 Cl N2 O5 S |
Smiles: | Cc1cccc(c1)N1C(=Nc2c(cc(c(c2OC)OC)OC)C1=O)SCC(c1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 5.2752 |
logD: | 5.2734 |
logSw: | -5.7427 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 59.219 |
InChI Key: | YUYKLEDPGIFUAE-UHFFFAOYSA-N |