2-chloro-5-(5-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(5-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}furan-2-yl)benzoic acid
2-chloro-5-(5-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 8007-2513 |
| Compound Name: | 2-chloro-5-(5-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 410.88 |
| Molecular Formula: | C21 H15 Cl N2 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(/N=C/c1ccc(c3ccc(c(c3)C(O)=O)[Cl])o1)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.7293 |
| logD: | 1.2989 |
| logSw: | -5.7408 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.115 |
| InChI Key: | AUGQFXUYWRUOEB-UHFFFAOYSA-N |