butyl 4-(5-{[(3-cyano-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridin-2-yl)imino]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
butyl 4-(5-{[(3-cyano-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridin-2-yl)imino]methyl}furan-2-yl)benzoate
butyl 4-(5-{[(3-cyano-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridin-2-yl)imino]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 5784-0721 |
| Compound Name: | butyl 4-(5-{[(3-cyano-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridin-2-yl)imino]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C26 H25 N3 O3 S |
| Smiles: | CCCCOC(c1ccc(cc1)c1ccc(/C=N/c2c(C#N)c3C4CCN(CC4)c3s2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4453 |
| logD: | 6.4453 |
| logSw: | -5.7076 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.993 |
| InChI Key: | XSZGQWGYNQNGMB-UHFFFAOYSA-N |