4-nitro-2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl acetate
Chemical Structure Depiction of
4-nitro-2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl acetate
4-nitro-2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl acetate
Compound characteristics
| Compound ID: | 3237-0101 |
| Compound Name: | 4-nitro-2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl acetate |
| Molecular Weight: | 341.34 |
| Molecular Formula: | C17 H11 N O5 S |
| Smiles: | CC(=O)Oc1ccc(cc1/C=C1/C(c2ccccc2S1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5129 |
| logD: | 3.5129 |
| logSw: | -4.0177 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.619 |
| InChI Key: | JIURJIDKDBJSPL-UHFFFAOYSA-N |