2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-ethoxy-N-phenyl-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-ethoxy-N-phenyl-2H-1-benzopyran-3-carboxamide
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-ethoxy-N-phenyl-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 2265-3131 |
| Compound Name: | 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-ethoxy-N-phenyl-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C27 H23 N3 O3 S |
| Smiles: | CCOc1cccc2C=C(/C(=N/c3c(C#N)c4CCCCc4s3)Oc12)C(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5746 |
| logD: | 5.5745 |
| logSw: | -5.4663 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.702 |
| InChI Key: | ULASHNJPIPVTOD-UHFFFAOYSA-N |