4-acetamido-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
4-acetamido-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}benzamide
4-acetamido-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F340-0505 |
| Compound Name: | 4-acetamido-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}benzamide |
| Molecular Weight: | 474.61 |
| Molecular Formula: | C27 H34 N6 O2 |
| Smiles: | CCn1c(C)c(CN\C(NC(c2ccc(cc2)NC(C)=O)=O)=N/c2ccc(cc2)C(C)C)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6668 |
| logD: | 2.7658 |
| logSw: | -3.8849 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.391 |
| InChI Key: | AECWWUYTRDADFW-UHFFFAOYSA-N |