4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 2425-4407 |
| Compound Name: | 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid |
| Molecular Weight: | 262.28 |
| Molecular Formula: | C12 H10 N2 O3 S |
| Smiles: | C1Cc2c(C#N)c(NC(/C=C/C(O)=O)=O)sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 1.8873 |
| logD: | -2.571 |
| logSw: | -2.4276 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.909 |
| InChI Key: | PIAPFXCCTUKVIL-SNAWJCMRSA-N |