N-{N'-(3-chloro-4-fluorophenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3,5-dimethylbenzamide
Chemical Structure Depiction of
N-{N'-(3-chloro-4-fluorophenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3,5-dimethylbenzamide
N-{N'-(3-chloro-4-fluorophenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3,5-dimethylbenzamide
Compound characteristics
| Compound ID: | F341-0848 |
| Compound Name: | N-{N'-(3-chloro-4-fluorophenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3,5-dimethylbenzamide |
| Molecular Weight: | 469.99 |
| Molecular Formula: | C25 H29 Cl F N5 O |
| Smiles: | CCn1c(C)c(CCN/C(NC(c2cc(C)cc(C)c2)=O)=N/c2ccc(c(c2)[Cl])F)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8736 |
| logD: | 4.7995 |
| logSw: | -5.003 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.971 |
| InChI Key: | MIHKSRVOCIABSS-UHFFFAOYSA-N |