N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
Compound characteristics
| Compound ID: | Y500-8808 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(2,4,6-trichlorophenoxy)methyl]benzamide |
| Molecular Weight: | 491.82 |
| Molecular Formula: | C23 H17 Cl3 N2 O2 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1cccc(COc3c(cc(cc3[Cl])[Cl])[Cl])c1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 7.0405 |
| logD: | 3.8975 |
| logSw: | -6.7711 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.502 |
| InChI Key: | WTXOIPNQUBRUHR-UHFFFAOYSA-N |