2-(4-benzylpiperidin-1-yl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
2-(4-benzylpiperidin-1-yl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
2-(4-benzylpiperidin-1-yl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | Y070-1302 |
| Compound Name: | 2-(4-benzylpiperidin-1-yl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C26 H23 N3 O4 S |
| Smiles: | C1CN(CCC1Cc1ccccc1)C1=NC(/C(=C\c2ccc(c3cccc(c3)[N+]([O-])=O)o2)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3322 |
| logD: | 6.3322 |
| logSw: | -6.151 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.275 |
| InChI Key: | OBZRLFXMBOIBAU-UHFFFAOYSA-N |