4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate
Chemical Structure Depiction of
4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate
4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate
Compound characteristics
| Compound ID: | 8007-4999 |
| Compound Name: | 4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate |
| Molecular Weight: | 486.92 |
| Molecular Formula: | C24 H17 Cl F2 N2 O3 S |
| Smiles: | COc1cc(/C=N/c2c(C#N)c3CCCCc3s2)ccc1OC(c1cc(c(cc1[Cl])F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4217 |
| logD: | 6.4217 |
| logSw: | -6.5183 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.232 |
| InChI Key: | ZCVAMYLZPOEFCP-UHFFFAOYSA-N |