N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]-4-fluorobenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]-4-fluorobenzamide--hydrogen chloride (1/1)
N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]-4-fluorobenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C301-7131 |
| Compound Name: | N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]-4-fluorobenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 538.02 |
| Molecular Formula: | C28 H28 F N5 O3 |
| Salt: | HCl |
| Smiles: | CCOc1ccc(cc1)Nc1c(c(C)nc(Nc2ccc(cc2)OCC)n1)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8112 |
| logD: | 5.6885 |
| logSw: | -5.5377 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.928 |
| InChI Key: | JHHCMOFYGOZFBA-UHFFFAOYSA-N |