methyl 4-({N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L088-1487 |
| Compound Name: | methyl 4-({N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 425.44 |
| Molecular Formula: | C22 H23 N3 O6 |
| Smiles: | COC(c1ccc(cc1)C(NC(/NCC1CCCO1)=N/c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9388 |
| logD: | 2.8897 |
| logSw: | -3.3905 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.795 |
| InChI Key: | IUUXTDANXAUAGX-QGZVFWFLSA-N |