3-acetamido-N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-methylbenzamide
Chemical Structure Depiction of
3-acetamido-N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-methylbenzamide
3-acetamido-N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | L088-1490 |
| Compound Name: | 3-acetamido-N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-methylbenzamide |
| Molecular Weight: | 438.48 |
| Molecular Formula: | C23 H26 N4 O5 |
| Smiles: | CC(Nc1cc(ccc1C)C(NC(/NCC1CCCO1)=N/c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9889 |
| logD: | 1.9399 |
| logSw: | -2.4958 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.185 |
| InChI Key: | KZHDFLANYZQBQW-GOSISDBHSA-N |