N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(2-methoxy-5-methylphenyl)carbamimidoyl}-3-fluoro-4-methylbenzamide
Chemical Structure Depiction of
N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(2-methoxy-5-methylphenyl)carbamimidoyl}-3-fluoro-4-methylbenzamide
N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(2-methoxy-5-methylphenyl)carbamimidoyl}-3-fluoro-4-methylbenzamide
Compound characteristics
| Compound ID: | F340-1045 |
| Compound Name: | N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(2-methoxy-5-methylphenyl)carbamimidoyl}-3-fluoro-4-methylbenzamide |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C25 H30 F N5 O2 |
| Smiles: | CCn1c(C)c(CN\C(NC(c2ccc(C)c(c2)F)=O)=N/c2cc(C)ccc2OC)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1439 |
| logD: | 3.4209 |
| logSw: | -4.2827 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.062 |
| InChI Key: | MDYFDBXMRLFHAP-UHFFFAOYSA-N |