N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3,4,5-trimethoxybenzamide
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | L088-1504 |
| Compound Name: | N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 457.48 |
| Molecular Formula: | C23 H27 N3 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)C(NC(/NCC1CCCO1)=N/c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6288 |
| logD: | 2.5799 |
| logSw: | -3.1775 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.599 |
| InChI Key: | OXWKKXOOVYWKRH-MRXNPFEDSA-N |