3,4-difluoro-N-{N'-[3-(methylsulfanyl)phenyl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
3,4-difluoro-N-{N'-[3-(methylsulfanyl)phenyl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
3,4-difluoro-N-{N'-[3-(methylsulfanyl)phenyl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F341-1916 |
| Compound Name: | 3,4-difluoro-N-{N'-[3-(methylsulfanyl)phenyl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide |
| Molecular Weight: | 457.54 |
| Molecular Formula: | C23 H25 F2 N5 O S |
| Smiles: | Cc1c(CCN\C(NC(c2ccc(c(c2)F)F)=O)=N/c2cccc(c2)SC)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6946 |
| logD: | 3.6567 |
| logSw: | -4.1816 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.532 |
| InChI Key: | KWOKVIZFJMPFJX-UHFFFAOYSA-N |