N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-3,4,5-trimethoxybenzamide
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | L087-1492 |
| Compound Name: | N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 464.48 |
| Molecular Formula: | C24 H24 N4 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)C(NC(/NCc1cccnc1)=N/c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5309 |
| logD: | 2.2948 |
| logSw: | -2.6264 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.463 |
| InChI Key: | RNJSRNUKOHFTJK-UHFFFAOYSA-N |