2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
Compound ID: | A0015905 |
Compound Name: | 2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one |
Molecular Weight: | 528.63 |
Molecular Formula: | C29 H28 N4 O4 S |
Smiles: | C1CCN(CC1)C(c1ccc2C(N(CCc3ccccc3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.8779 |
logD: | 4.8779 |
logSw: | -4.7096 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 75.779 |
InChI Key: | HERDHYRQGBJQHP-UHFFFAOYSA-N |