2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1-benzothiophen-3(2H)-one
2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 8007-3147 |
| Compound Name: | 2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C24 H19 N O5 S |
| Smiles: | CCOc1cc(\C=C2/C(c3ccccc3S2)=O)ccc1OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1209 |
| logD: | 5.1209 |
| logSw: | -5.0881 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.306 |
| InChI Key: | RHNBRQVHDQNTMP-UHFFFAOYSA-N |