2-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1-benzothiophen-3(2H)-one
2-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 8006-4086 |
| Compound Name: | 2-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C17 H14 N2 O3 S |
| Smiles: | CN(C)c1ccc(/C=C2/C(c3ccccc3S2)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.884 |
| logD: | 3.884 |
| logSw: | -4.1616 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.984 |
| InChI Key: | KUEPMCMGFZVBFC-UHFFFAOYSA-N |