4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}-2-methoxyphenyl acetate
4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 8007-2563 |
| Compound Name: | 4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}-2-methoxyphenyl acetate |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C19 H18 N2 O3 S |
| Smiles: | CC(=O)Oc1ccc(/C=N/c2c(C#N)c3CCCCc3s2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7751 |
| logD: | 3.7751 |
| logSw: | -4.3697 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.605 |
| InChI Key: | KYYPZVHXHQPXLD-UHFFFAOYSA-N |