N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-4-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-4-(trifluoromethyl)benzamide
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-4-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | F430-1612 |
| Compound Name: | N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-4-(trifluoromethyl)benzamide |
| Molecular Weight: | 442.4 |
| Molecular Formula: | C22 H17 F3 N4 O3 |
| Smiles: | C(c1ccncc1)N/C(NC(c1ccc(cc1)C(F)(F)F)=O)=N/c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.494 |
| logD: | 3.0163 |
| logSw: | -3.6189 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.395 |
| InChI Key: | LJQQFDFQCJVHGE-UHFFFAOYSA-N |