3-acetamido-N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
3-acetamido-N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}benzamide
3-acetamido-N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | L087-1478 |
| Compound Name: | 3-acetamido-N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}benzamide |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C23 H21 N5 O4 |
| Smiles: | CC(Nc1cccc(c1)C(NC(/NCc1cccnc1)=N/c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2522 |
| logD: | 2.016 |
| logSw: | -2.5054 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.747 |
| InChI Key: | IAIJSTGZODBDPB-UHFFFAOYSA-N |