N-{N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}-3-fluoro-4-methylbenzamide
Chemical Structure Depiction of
N-{N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}-3-fluoro-4-methylbenzamide
N-{N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}-3-fluoro-4-methylbenzamide
Compound characteristics
| Compound ID: | F341-0438 |
| Compound Name: | N-{N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}-3-fluoro-4-methylbenzamide |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C27 H34 F N5 O |
| Smiles: | CCn1c(C)c(CCN/C(NC(c2ccc(C)c(c2)F)=O)=N/c2ccc(cc2)C(C)C)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2565 |
| logD: | 4.903 |
| logSw: | -5.0132 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.971 |
| InChI Key: | RAWQLEMFAOZBLV-UHFFFAOYSA-N |