N-{N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}-3-fluorobenzamide
Chemical Structure Depiction of
N-{N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}-3-fluorobenzamide
N-{N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}-3-fluorobenzamide
Compound characteristics
| Compound ID: | F341-0755 |
| Compound Name: | N-{N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}-3-fluorobenzamide |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C24 H28 F N5 O S |
| Smiles: | CCn1c(C)c(CCN/C(NC(c2cccc(c2)F)=O)=N/c2cccc(c2)SC)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9797 |
| logD: | 3.9676 |
| logSw: | -4.107 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.971 |
| InChI Key: | YRINJJFEFSCLSF-UHFFFAOYSA-N |