N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L086-1019 |
| Compound Name: | N-{N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 426.83 |
| Molecular Formula: | C21 H16 Cl F N4 O3 |
| Smiles: | C(c1ccccn1)N/C(NC(c1ccc2c(c1)OCO2)=O)=N/c1ccc(c(c1)[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.6294 |
| logD: | 3.5645 |
| logSw: | -4.2178 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.51 |
| InChI Key: | LHOIHUBKJJJKAI-UHFFFAOYSA-N |