4-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate
Chemical Structure Depiction of
4-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate
4-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | IB02-9083 |
| Compound Name: | 4-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate |
| Molecular Weight: | 409.42 |
| Molecular Formula: | C21 H15 N O6 S |
| Smiles: | COc1ccc(c(c1)C(/C=C/c1cccs1)=O)OC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.36 |
| logD: | 4.36 |
| logSw: | -5.39 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 153.63 |
| InChI Key: | WXRQSSDKZSUSFS-UHFFFAOYSA-N |