4-acetamido-N-{N'-[3-(methylsulfanyl)phenyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
4-acetamido-N-{N'-[3-(methylsulfanyl)phenyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
4-acetamido-N-{N'-[3-(methylsulfanyl)phenyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F340-1763 |
| Compound Name: | 4-acetamido-N-{N'-[3-(methylsulfanyl)phenyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide |
| Molecular Weight: | 464.59 |
| Molecular Formula: | C24 H28 N6 O2 S |
| Smiles: | CC(Nc1ccc(cc1)C(NC(/NCc1c(C)nn(C)c1C)=N/c1cccc(c1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.398 |
| logD: | 2.3524 |
| logSw: | -2.8891 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.953 |
| InChI Key: | SQWJRZYFRGJCNL-UHFFFAOYSA-N |