N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3-methoxybenzamide
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3-methoxybenzamide
Compound characteristics
Compound ID: | L088-1483 |
Compound Name: | N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3-methoxybenzamide |
Molecular Weight: | 397.43 |
Molecular Formula: | C21 H23 N3 O5 |
Smiles: | COc1cccc(c1)C(NC(/NCC1CCCO1)=N/c1ccc2c(c1)OCO2)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.9102 |
logD: | 2.8613 |
logSw: | -3.4294 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.165 |
InChI Key: | BPMWDAISWYJYPB-QGZVFWFLSA-N |