N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-3-methylbenzamide
N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | L086-1020 |
| Compound Name: | N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-3-methylbenzamide |
| Molecular Weight: | 396.85 |
| Molecular Formula: | C21 H18 Cl F N4 O |
| Smiles: | Cc1cccc(c1)C(NC(/NCc1ccccn1)=N/c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.078 |
| logD: | 4.0085 |
| logSw: | -4.4049 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.394 |
| InChI Key: | VECSETUOXDZUQQ-UHFFFAOYSA-N |