N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-ethoxybenzamide
Chemical Structure Depiction of
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-ethoxybenzamide
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-ethoxybenzamide
Compound characteristics
| Compound ID: | L088-1498 |
| Compound Name: | N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-ethoxybenzamide |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C22 H25 N3 O5 |
| Smiles: | CCOc1ccc(cc1)C(NC(/NCC1CCCO1)=N/c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.217 |
| logD: | 3.168 |
| logSw: | -3.3875 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.745 |
| InChI Key: | RNLLNCMKAUWDMB-GOSISDBHSA-N |