2-{[(3-nitrophenyl)methyl]sulfanyl}-3-[3-oxo-3-(piperidin-1-yl)propyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-[3-oxo-3-(piperidin-1-yl)propyl]quinazolin-4(3H)-one
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-[3-oxo-3-(piperidin-1-yl)propyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-3206 |
| Compound Name: | 2-{[(3-nitrophenyl)methyl]sulfanyl}-3-[3-oxo-3-(piperidin-1-yl)propyl]quinazolin-4(3H)-one |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | C1CCN(CC1)C(CCN1C(=Nc2ccccc2C1=O)SCc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2184 |
| logD: | 3.2184 |
| logSw: | -3.7326 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.523 |
| InChI Key: | JRPCXNNLLRJUBS-UHFFFAOYSA-N |