N-(3-{(2H-1,3-benzodioxol-5-yl)[(4,6-dimethylpyrimidin-2-yl)amino]methyl}-5-methylthiophen-2-yl)furan-2-carboxamide
Chemical Structure Depiction of
N-(3-{(2H-1,3-benzodioxol-5-yl)[(4,6-dimethylpyrimidin-2-yl)amino]methyl}-5-methylthiophen-2-yl)furan-2-carboxamide
N-(3-{(2H-1,3-benzodioxol-5-yl)[(4,6-dimethylpyrimidin-2-yl)amino]methyl}-5-methylthiophen-2-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | D444-0744 |
| Compound Name: | N-(3-{(2H-1,3-benzodioxol-5-yl)[(4,6-dimethylpyrimidin-2-yl)amino]methyl}-5-methylthiophen-2-yl)furan-2-carboxamide |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C24 H22 N4 O4 S |
| Smiles: | [H]N(C(c1ccc2c(c1)OCO2)c1cc(C)sc1NC(c1ccco1)=O)c1nc(C)cc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4726 |
| logD: | 4.4708 |
| logSw: | -4.3335 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.451 |
| InChI Key: | DGHFKCOMTUQVQD-OAQYLSRUSA-N |