ethyl (4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}-2-methoxyphenoxy)acetate
Chemical Structure Depiction of
ethyl (4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}-2-methoxyphenoxy)acetate
ethyl (4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}-2-methoxyphenoxy)acetate
Compound characteristics
| Compound ID: | 8008-6575 |
| Compound Name: | ethyl (4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}-2-methoxyphenoxy)acetate |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | CCOC(COc1ccc(/C=N/c2c(C#N)c3CCCCc3s2)cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7034 |
| logD: | 3.7034 |
| logSw: | -4.2758 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.512 |
| InChI Key: | PITIDJZLCLSERK-UHFFFAOYSA-N |