2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxo-4-phenylbut-2-enoic acid
Chemical Structure Depiction of
2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxo-4-phenylbut-2-enoic acid
2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxo-4-phenylbut-2-enoic acid
Compound characteristics
| Compound ID: | 8012-8375 |
| Compound Name: | 2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxo-4-phenylbut-2-enoic acid |
| Molecular Weight: | 338.38 |
| Molecular Formula: | C18 H14 N2 O3 S |
| Smiles: | C1Cc2c(C#N)c(NC(=C/C(c3ccccc3)=O)\C(O)=O)sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.1411 |
| logD: | -2.268 |
| logSw: | -3.5316 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.776 |
| InChI Key: | JLRPVPGGZVADJX-UHFFFAOYSA-N |