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 |