N-{N'-(3,4-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3,4-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3,4-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L088-1289 |
| Compound Name: | N-{N'-(3,4-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C22 H25 N3 O6 |
| Smiles: | COc1ccc(cc1OC)/N=C(\NCC1CCCO1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4722 |
| logD: | 2.4083 |
| logSw: | -2.9779 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.882 |
| InChI Key: | AAWHBAKYVZWIIS-MRXNPFEDSA-N |