N-(2,4-dimethoxyphenyl)-2-{[(pyridin-3-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-{[(pyridin-3-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-(2,4-dimethoxyphenyl)-2-{[(pyridin-3-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | K801-0305 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-{[(pyridin-3-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | COc1ccc(c(c1)OC)NC(c1c2CCCCc2sc1NCc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.978 |
| logD: | 3.9676 |
| logSw: | -4.2049 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.273 |
| InChI Key: | YYAWCEBEOJJKMO-UHFFFAOYSA-N |