N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)-5-{[(3-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)-5-{[(3-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide
N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)-5-{[(3-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D299-1066 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)-5-{[(3-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide |
| Molecular Weight: | 522.6 |
| Molecular Formula: | C27 H27 F N4 O4 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)N(Cc1cccc(c1)F)Cc1ccco1)=O)c1cc(C)ccc1C |
| Stereo: | ACHIRAL |
| logP: | 4.4415 |
| logD: | 4.4404 |
| logSw: | -4.243 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.273 |
| InChI Key: | XIOAADTUCFACHA-UHFFFAOYSA-N |