N-{N-[(oxolan-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N-[(oxolan-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N-[(oxolan-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L088-1548 |
| Compound Name: | N-{N-[(oxolan-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 435.4 |
| Molecular Formula: | C21 H20 F3 N3 O4 |
| Smiles: | C1CC(CN\C(NC(c2ccc3c(c2)OCO3)=O)=N/c2cccc(c2)C(F)(F)F)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6712 |
| logD: | 3.6038 |
| logSw: | -4.1536 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.621 |
| InChI Key: | YGDXCCFKAGWODI-MRXNPFEDSA-N |