N-{N'-(3,4-dimethoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3,4-dimethoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3,4-dimethoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L087-1280 |
| Compound Name: | N-{N'-(3,4-dimethoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C23 H22 N4 O5 |
| Smiles: | COc1ccc(cc1OC)/N=C(\NCc1cccnc1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3744 |
| logD: | 2.082 |
| logSw: | -2.5763 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.745 |
| InChI Key: | GHVJGIRERBYPSO-UHFFFAOYSA-N |