methyl 4-({N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L087-1476 |
| Compound Name: | methyl 4-({N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 432.43 |
| Molecular Formula: | C23 H20 N4 O5 |
| Smiles: | COC(c1ccc(cc1)C(NC(/NCc1cccnc1)=N/c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8409 |
| logD: | 2.6048 |
| logSw: | -3.1769 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.659 |
| InChI Key: | JOUSPQSOYHPCRT-UHFFFAOYSA-N |