N-{N'-(3,5-dimethoxyphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3,5-dimethoxyphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3,5-dimethoxyphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L086-1316 |
| Compound Name: | N-{N'-(3,5-dimethoxyphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C23 H22 N4 O5 |
| Smiles: | COc1cc(cc(c1)OC)/N=C(/NCc1ccccn1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2714 |
| logD: | 2.9831 |
| logSw: | -3.5189 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.598 |
| InChI Key: | AWGFWWDQSWVAFN-UHFFFAOYSA-N |