N-(3-{(2H-1,3-benzodioxol-5-yl)[(pyridin-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Chemical Structure Depiction of
N-(3-{(2H-1,3-benzodioxol-5-yl)[(pyridin-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
N-(3-{(2H-1,3-benzodioxol-5-yl)[(pyridin-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Compound characteristics
| Compound ID: | D444-0340 |
| Compound Name: | N-(3-{(2H-1,3-benzodioxol-5-yl)[(pyridin-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C28 H25 N3 O3 S |
| Smiles: | [H]N(C(c1ccc2c(c1)OCO2)c1c2CCCCc2sc1NC(c1ccccc1)=O)c1ccccn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1197 |
| logD: | 5.9751 |
| logSw: | -5.9739 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.09 |
| InChI Key: | RDRVKBAHAMAPJW-AREMUKBSSA-N |