N-{N'-(3,4-dimethylphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3,4-dimethylphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3,4-dimethylphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L087-0304 |
| Compound Name: | N-{N'-(3,4-dimethylphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C23 H22 N4 O3 |
| Smiles: | Cc1ccc(cc1C)/N=C(\NCc1cccnc1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8492 |
| logD: | 3.2168 |
| logSw: | -3.6601 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.485 |
| InChI Key: | AETPLGLVAXCHHU-UHFFFAOYSA-N |