N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-3-methoxybenzamide
N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-3-methoxybenzamide
Compound characteristics
| Compound ID: | L087-1029 |
| Compound Name: | N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-3-methoxybenzamide |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C21 H18 Cl F N4 O2 |
| Smiles: | COc1cccc(c1)C(NC(/NCc1cccnc1)=N/c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4513 |
| logD: | 3.4379 |
| logSw: | -3.9505 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.913 |
| InChI Key: | VQZAWBCGDQTXLQ-UHFFFAOYSA-N |