3-(4-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
3-(4-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
Compound ID: | G859-0217 |
Compound Name: | 3-(4-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one |
Molecular Weight: | 530.6 |
Molecular Formula: | C28 H26 N4 O5 S |
Smiles: | COc1ccc(cc1)N1C(=Nc2cc(ccc2C1=O)C(N1CCCCC1)=O)SCc1ccc(cc1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.9558 |
logD: | 3.9556 |
logSw: | -3.9736 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 82.733 |
InChI Key: | JYCPOPSVCZXDSH-UHFFFAOYSA-N |