3-acetamido-N-{N'-[4-(propan-2-yl)phenyl]-N-[(pyridin-3-yl)methyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
3-acetamido-N-{N'-[4-(propan-2-yl)phenyl]-N-[(pyridin-3-yl)methyl]carbamimidoyl}benzamide
3-acetamido-N-{N'-[4-(propan-2-yl)phenyl]-N-[(pyridin-3-yl)methyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | L087-0620 |
| Compound Name: | 3-acetamido-N-{N'-[4-(propan-2-yl)phenyl]-N-[(pyridin-3-yl)methyl]carbamimidoyl}benzamide |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C25 H27 N5 O2 |
| Smiles: | CC(C)c1ccc(cc1)/N=C(\NCc1cccnc1)NC(c1cccc(c1)NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4546 |
| logD: | 3.175 |
| logSw: | -3.3305 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.631 |
| InChI Key: | ISZNQUYLKSRPAE-UHFFFAOYSA-N |