2-[4-(2-methylphenyl)piperazin-1-yl]-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
2-[4-(2-methylphenyl)piperazin-1-yl]-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
2-[4-(2-methylphenyl)piperazin-1-yl]-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | 4226-2021 |
| Compound Name: | 2-[4-(2-methylphenyl)piperazin-1-yl]-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C25 H22 N4 O4 S |
| Smiles: | Cc1ccccc1N1CCN(CC1)C1=NC(/C(=C\c2ccc(c3cccc(c3)[N+]([O-])=O)o2)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6192 |
| logD: | 5.6191 |
| logSw: | -5.4982 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.506 |
| InChI Key: | XDMKXRLDQHDNSU-UHFFFAOYSA-N |