ethyl 4-cyano-5-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 4-cyano-5-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-3-methylthiophene-2-carboxylate
ethyl 4-cyano-5-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | G786-0409 |
| Compound Name: | ethyl 4-cyano-5-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 372.4 |
| Molecular Formula: | C18 H16 N2 O5 S |
| Smiles: | CCOC(c1c(C)c(C#N)c(NC(c2ccc3c(c2)OCCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.207 |
| logD: | 0.6797 |
| logSw: | -2.9412 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.757 |
| InChI Key: | CCLUUMFUWVZALW-UHFFFAOYSA-N |