3-acetamido-N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-4-methylbenzamide
Chemical Structure Depiction of
3-acetamido-N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-4-methylbenzamide
3-acetamido-N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | L087-1036 |
| Compound Name: | 3-acetamido-N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-4-methylbenzamide |
| Molecular Weight: | 453.9 |
| Molecular Formula: | C23 H21 Cl F N5 O2 |
| Smiles: | CC(Nc1cc(ccc1C)C(NC(/NCc1cccnc1)=N/c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.53 |
| logD: | 2.5158 |
| logSw: | -3.4889 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.933 |
| InChI Key: | OWGYKQFXCHBRTI-UHFFFAOYSA-N |