N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-3-methoxybenzamide
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-3-methoxybenzamide
Compound characteristics
| Compound ID: | L086-1472 |
| Compound Name: | N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-3-methoxybenzamide |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C22 H20 N4 O4 |
| Smiles: | COc1cccc(c1)C(NC(\NCc1ccccn1)=N/c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1302 |
| logD: | 2.4505 |
| logSw: | -3.474 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.054 |
| InChI Key: | LBOIYKFVXFUPLE-UHFFFAOYSA-N |