2-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-1-benzothiophen-3(2H)-one
2-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 8008-6006 |
| Compound Name: | 2-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 473.43 |
| Molecular Formula: | C23 H14 F3 N O5 S |
| Smiles: | COc1cc(/C=C2/C(c3ccccc3S2)=O)ccc1Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.8432 |
| logD: | 5.8432 |
| logSw: | -5.7513 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.032 |
| InChI Key: | RYDZJFFNFNMZPU-UHFFFAOYSA-N |