N-{N'-(2-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(2-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(2-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L086-0155 |
| Compound Name: | N-{N'-(2-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C22 H20 N4 O3 |
| Smiles: | Cc1ccccc1/N=C(/NCc1ccccn1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2952 |
| logD: | 2.7637 |
| logSw: | -3.4907 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.812 |
| InChI Key: | IHTSSEIVFAPFRE-UHFFFAOYSA-N |