N-{N'-(3,5-difluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3,5-difluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3,5-difluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
Compound ID: | L086-1680 |
Compound Name: | N-{N'-(3,5-difluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
Molecular Weight: | 410.38 |
Molecular Formula: | C21 H16 F2 N4 O3 |
Smiles: | C(c1ccccn1)N/C(NC(c1ccc2c(c1)OCO2)=O)=N/c1cc(cc(c1)F)F |
Stereo: | ACHIRAL |
logP: | 3.244 |
logD: | 3.2207 |
logSw: | -3.4835 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.51 |
InChI Key: | UOSCRGVQCZWXLL-UHFFFAOYSA-N |