3-acetamido-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-4-methylbenzamide
Chemical Structure Depiction of
3-acetamido-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-4-methylbenzamide
3-acetamido-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | L087-1369 |
| Compound Name: | 3-acetamido-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-4-methylbenzamide |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C25 H25 N5 O4 |
| Smiles: | CC(Nc1cc(ccc1C)C(NC(/NCc1cccnc1)=N/c1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0305 |
| logD: | 0.565 |
| logSw: | -1.4716 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.756 |
| InChI Key: | LYJGXCCQYRBIBQ-UHFFFAOYSA-N |