(5Z)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
(5Z)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
(5Z)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | IB02-0530 |
| Compound Name: | (5Z)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 505.51 |
| Molecular Formula: | C24 H19 N5 O6 S |
| Smiles: | C1CN(CCN1C1=NC(/C(=C/c2ccc(c3ccccc3[N+]([O-])=O)o2)S1)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.68 |
| logD: | 4.68 |
| logSw: | -6.06 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 249.16 |
| InChI Key: | LWMBPTYEFOIHOI-UHFFFAOYSA-N |