N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-4-methylbenzamide
Chemical Structure Depiction of
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-4-methylbenzamide
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | L087-1469 |
| Compound Name: | N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-4-methylbenzamide |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C22 H20 N4 O3 |
| Smiles: | Cc1ccc(cc1)C(NC(/NCc1cccnc1)=N/c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1735 |
| logD: | 2.9374 |
| logSw: | -3.0628 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.485 |
| InChI Key: | QZULSRLMIREOKM-UHFFFAOYSA-N |