N-(4-chlorophenyl)-2-(ethanesulfonyl)-5-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-(ethanesulfonyl)-5-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide
N-(4-chlorophenyl)-2-(ethanesulfonyl)-5-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D299-1039 |
| Compound Name: | N-(4-chlorophenyl)-2-(ethanesulfonyl)-5-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide |
| Molecular Weight: | 528.99 |
| Molecular Formula: | C25 H22 Cl F N4 O4 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)N(Cc1ccc(cc1)F)Cc1ccco1)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7037 |
| logD: | 4.6477 |
| logSw: | -4.7845 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.97 |
| InChI Key: | XJYPUGKBCGUHFR-UHFFFAOYSA-N |