N-{N'-(2-methoxy-5-methylphenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(2-methoxy-5-methylphenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(2-methoxy-5-methylphenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F430-0494 |
| Compound Name: | N-{N'-(2-methoxy-5-methylphenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C23 H22 N4 O4 |
| Smiles: | Cc1ccc(c(c1)/N=C(\NCc1ccncc1)NC(c1ccc2c(c1)OCO2)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7549 |
| logD: | 2.3495 |
| logSw: | -2.9953 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.328 |
| InChI Key: | XJBMUQGYDJNVHA-UHFFFAOYSA-N |