N-[2,4-bis(3-methylanilino)pyrimidin-5-yl]-3-fluorobenzamide
Chemical Structure Depiction of
N-[2,4-bis(3-methylanilino)pyrimidin-5-yl]-3-fluorobenzamide
N-[2,4-bis(3-methylanilino)pyrimidin-5-yl]-3-fluorobenzamide
Compound characteristics
| Compound ID: | C301-7007 |
| Compound Name: | N-[2,4-bis(3-methylanilino)pyrimidin-5-yl]-3-fluorobenzamide |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C25 H22 F N5 O |
| Smiles: | Cc1cccc(c1)Nc1c(cnc(Nc2cccc(C)c2)n1)NC(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9224 |
| logD: | 5.803 |
| logSw: | -5.4377 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.324 |
| InChI Key: | QKFJKBRSUBYXSD-UHFFFAOYSA-N |