4-({3,5-diiodo-4-[(3-methylphenyl)methoxy]phenyl}methylidene)-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-({3,5-diiodo-4-[(3-methylphenyl)methoxy]phenyl}methylidene)-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-({3,5-diiodo-4-[(3-methylphenyl)methoxy]phenyl}methylidene)-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | Y508-0131 |
| Compound Name: | 4-({3,5-diiodo-4-[(3-methylphenyl)methoxy]phenyl}methylidene)-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 680.24 |
| Molecular Formula: | C25 H18 I2 N2 O5 |
| Smiles: | Cc1cccc(COc2c(cc(\C=C3/C(=O)OC(c4ccc(C)c(c4)[N+]([O-])=O)=N3)cc2I)I)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.554 |
| logD: | 7.554 |
| logSw: | -5.622 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.857 |
| InChI Key: | FCDBMUKXGRAOQF-UHFFFAOYSA-N |