2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-nitrobenzoate
Chemical Structure Depiction of
2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-nitrobenzoate
2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-nitrobenzoate
Compound characteristics
| Compound ID: | 2729-0426 |
| Compound Name: | 2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-nitrobenzoate |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C22 H13 N O5 S |
| Smiles: | C(=C1/C(c2ccccc2S1)=O)\c1ccccc1OC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8819 |
| logD: | 4.8819 |
| logSw: | -4.9772 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.945 |
| InChI Key: | MEGQAUGFLBMFLY-UHFFFAOYSA-N |