N-{N-[(pyridin-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N-[(pyridin-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N-[(pyridin-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L086-1536 |
| Compound Name: | N-{N-[(pyridin-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 442.4 |
| Molecular Formula: | C22 H17 F3 N4 O3 |
| Smiles: | C(c1ccccn1)N/C(NC(c1ccc2c(c1)OCO2)=O)=N/c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.8912 |
| logD: | 3.09 |
| logSw: | -4.2551 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.51 |
| InChI Key: | CNINCOABPUBPBI-UHFFFAOYSA-N |