N-(3-{(2H-1,3-benzodioxol-5-yl)[(4,6-dimethylpyrimidin-2-yl)amino]methyl}-5-methylthiophen-2-yl)benzamide
Chemical Structure Depiction of
N-(3-{(2H-1,3-benzodioxol-5-yl)[(4,6-dimethylpyrimidin-2-yl)amino]methyl}-5-methylthiophen-2-yl)benzamide
N-(3-{(2H-1,3-benzodioxol-5-yl)[(4,6-dimethylpyrimidin-2-yl)amino]methyl}-5-methylthiophen-2-yl)benzamide
Compound characteristics
| Compound ID: | D444-0774 |
| Compound Name: | N-(3-{(2H-1,3-benzodioxol-5-yl)[(4,6-dimethylpyrimidin-2-yl)amino]methyl}-5-methylthiophen-2-yl)benzamide |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C26 H24 N4 O3 S |
| Smiles: | [H]N(C(c1ccc2c(c1)OCO2)c1cc(C)sc1NC(c1ccccc1)=O)c1nc(C)cc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0951 |
| logD: | 5.0922 |
| logSw: | -4.9418 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.873 |
| InChI Key: | HKJBKKIRJSIMMX-HSZRJFAPSA-N |