N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxybenzamido)pyrazine-2-carboxamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxybenzamido)pyrazine-2-carboxamide
N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxybenzamido)pyrazine-2-carboxamide
Compound characteristics
| Compound ID: | P309-1688 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxybenzamido)pyrazine-2-carboxamide |
| Molecular Weight: | 414.82 |
| Molecular Formula: | C20 H16 Cl F N4 O3 |
| Smiles: | COc1ccc(cc1)C(Nc1c(C(NCc2ccc(cc2[Cl])F)=O)nccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2455 |
| logD: | 2.7544 |
| logSw: | -3.6504 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.793 |
| InChI Key: | YBICINBUXDRIAV-UHFFFAOYSA-N |