butyl 2-chloro-5-(5-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
butyl 2-chloro-5-(5-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}furan-2-yl)benzoate
butyl 2-chloro-5-(5-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 2082-0527 |
| Compound Name: | butyl 2-chloro-5-(5-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 466.99 |
| Molecular Formula: | C25 H23 Cl N2 O3 S |
| Smiles: | CCCCOC(c1cc(ccc1[Cl])c1ccc(/C=N/c2c(C#N)c3CCCCc3s2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6025 |
| logD: | 7.6025 |
| logSw: | -6.747 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.755 |
| InChI Key: | STEXNKPQLKPCAM-UHFFFAOYSA-N |