N-{N'-(4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L087-1205 |
| Compound Name: | N-{N'-(4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 392.39 |
| Molecular Formula: | C21 H17 F N4 O3 |
| Smiles: | C(c1cccnc1)N\C(NC(c1ccc2c(c1)OCO2)=O)=N/c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.5659 |
| logD: | 2.4881 |
| logSw: | -2.7481 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.485 |
| InChI Key: | JNYOXJYBCHDZDA-UHFFFAOYSA-N |