N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}-2,3-dimethoxybenzamide
Chemical Structure Depiction of
N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}-2,3-dimethoxybenzamide
N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}-2,3-dimethoxybenzamide
Compound characteristics
| Compound ID: | F340-0663 |
| Compound Name: | N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}-2,3-dimethoxybenzamide |
| Molecular Weight: | 477.61 |
| Molecular Formula: | C27 H35 N5 O3 |
| Smiles: | CCn1c(C)c(CN\C(NC(c2cccc(c2OC)OC)=O)=N/c2ccc(cc2)C(C)C)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2752 |
| logD: | 3.4805 |
| logSw: | -4.4242 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.477 |
| InChI Key: | KRJNARVTDRPCEM-UHFFFAOYSA-N |