N-(3-{[(4,6-dimethylpyrimidin-2-yl)amino](4-methylphenyl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Chemical Structure Depiction of
N-(3-{[(4,6-dimethylpyrimidin-2-yl)amino](4-methylphenyl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
N-(3-{[(4,6-dimethylpyrimidin-2-yl)amino](4-methylphenyl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Compound characteristics
| Compound ID: | D444-0825 |
| Compound Name: | N-(3-{[(4,6-dimethylpyrimidin-2-yl)amino](4-methylphenyl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide |
| Molecular Weight: | 482.65 |
| Molecular Formula: | C29 H30 N4 O S |
| Smiles: | [H]N(C(c1ccc(C)cc1)c1c2CCCCc2sc1NC(c1ccccc1)=O)c1nc(C)cc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1726 |
| logD: | 6.1488 |
| logSw: | -5.4105 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.678 |
| InChI Key: | SKAITNVSPOUJOT-AREMUKBSSA-N |