1-(3-[(furan-2-yl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(3-[(furan-2-yl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
1-(3-[(furan-2-yl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K284-4527 |
| Compound Name: | 1-(3-[(furan-2-yl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide |
| Molecular Weight: | 547.59 |
| Molecular Formula: | C27 H25 N5 O6 S |
| Smiles: | C1CN(CCC1C(N)=O)C(c1ccc2C(N(Cc3ccco3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4119 |
| logD: | 2.4119 |
| logSw: | -2.9292 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.608 |
| InChI Key: | YBXRBLGNHBRFET-UHFFFAOYSA-N |