N-{N'-(2-ethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3-fluoro-4-methylbenzamide
Chemical Structure Depiction of
N-{N'-(2-ethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3-fluoro-4-methylbenzamide
N-{N'-(2-ethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3-fluoro-4-methylbenzamide
Compound characteristics
| Compound ID: | F341-0088 |
| Compound Name: | N-{N'-(2-ethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3-fluoro-4-methylbenzamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C26 H32 F N5 O2 |
| Smiles: | CCn1c(C)c(CCN\C(NC(c2ccc(C)c(c2)F)=O)=N/c2ccccc2OCC)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2855 |
| logD: | 4.2181 |
| logSw: | -4.2403 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.483 |
| InChI Key: | SJUYYOBCASSCBC-UHFFFAOYSA-N |