ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoate
Chemical Structure Depiction of
ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoate
ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoate
Compound characteristics
| Compound ID: | 2425-4249 |
| Compound Name: | ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoate |
| Molecular Weight: | 304.37 |
| Molecular Formula: | C15 H16 N2 O3 S |
| Smiles: | CCOC(/C=C/C(Nc1c(C#N)c2CCCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.116 |
| logD: | 0.518 |
| logSw: | -3.2933 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.318 |
| InChI Key: | FQLBRDUXVKJPMX-UHFFFAOYSA-N |