3-acetamido-N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
3-acetamido-N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}benzamide
3-acetamido-N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | L088-1489 |
| Compound Name: | 3-acetamido-N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}benzamide |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C22 H24 N4 O5 |
| Smiles: | CC(Nc1cccc(c1)C(NC(/NCC1CCCO1)=N/c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.35 |
| logD: | 2.301 |
| logSw: | -2.9556 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.883 |
| InChI Key: | VMPFBWRIDAYCTC-GOSISDBHSA-N |