N-{N'-phenyl-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-phenyl-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-phenyl-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L087-0007 |
| Compound Name: | N-{N'-phenyl-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 374.4 |
| Molecular Formula: | C21 H18 N4 O3 |
| Smiles: | C(c1cccnc1)N\C(NC(c1ccc2c(c1)OCO2)=O)=N/c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4153 |
| logD: | 2.2685 |
| logSw: | -2.803 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.485 |
| InChI Key: | OKEIFDVWVZXELJ-UHFFFAOYSA-N |