N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-3,4,5-trimethoxybenzamide
N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | L086-1049 |
| Compound Name: | N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 472.9 |
| Molecular Formula: | C23 H22 Cl F N4 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)C(NC(/NCc1ccccn1)=N/c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4878 |
| logD: | 3.423 |
| logSw: | -3.9747 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.372 |
| InChI Key: | YIJRHWJYEQMKMF-UHFFFAOYSA-N |