2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-2H-1-benzopyran-3-carboxamide
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 1926-2279 |
| Compound Name: | 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C20 H17 N3 O3 S |
| Smiles: | COc1cccc2C=C(/C(=N/c3c(C#N)c4CCCCc4s3)Oc12)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9514 |
| logD: | 2.9514 |
| logSw: | -3.5436 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.09 |
| InChI Key: | UCFFVKFNMKADOR-UHFFFAOYSA-N |