5-{benzyl[(furan-2-yl)methyl]amino}-N-(2,4-dimethylphenyl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-{benzyl[(furan-2-yl)methyl]amino}-N-(2,4-dimethylphenyl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide
5-{benzyl[(furan-2-yl)methyl]amino}-N-(2,4-dimethylphenyl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D299-1310 |
| Compound Name: | 5-{benzyl[(furan-2-yl)methyl]amino}-N-(2,4-dimethylphenyl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 504.61 |
| Molecular Formula: | C27 H28 N4 O4 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)N(Cc1ccccc1)Cc1ccco1)=O)c1ccc(C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 4.7607 |
| logD: | 4.7586 |
| logSw: | -4.3967 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.273 |
| InChI Key: | XBYCKYABOWHEJV-UHFFFAOYSA-N |