N-{N'-(3,4-dimethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3-fluoro-4-methylbenzamide
Chemical Structure Depiction of
N-{N'-(3,4-dimethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3-fluoro-4-methylbenzamide
N-{N'-(3,4-dimethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3-fluoro-4-methylbenzamide
Compound characteristics
| Compound ID: | F341-0988 |
| Compound Name: | N-{N'-(3,4-dimethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3-fluoro-4-methylbenzamide |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C26 H32 F N5 O3 |
| Smiles: | CCn1c(C)c(CCN/C(NC(c2ccc(C)c(c2)F)=O)=N/c2ccc(c(c2)OC)OC)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7559 |
| logD: | 3.3873 |
| logSw: | -4.202 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.232 |
| InChI Key: | KYFXBQNFNZBGLJ-UHFFFAOYSA-N |