4-cyano-N-{N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-(3-methylphenyl)carbamimidoyl}benzamide
Chemical Structure Depiction of
4-cyano-N-{N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-(3-methylphenyl)carbamimidoyl}benzamide
4-cyano-N-{N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-(3-methylphenyl)carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F341-0396 |
| Compound Name: | 4-cyano-N-{N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-(3-methylphenyl)carbamimidoyl}benzamide |
| Molecular Weight: | 428.54 |
| Molecular Formula: | C25 H28 N6 O |
| Smiles: | CCn1c(C)c(CCN/C(NC(c2ccc(C#N)cc2)=O)=N/c2cccc(C)c2)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5815 |
| logD: | 3.1986 |
| logSw: | -3.7803 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.027 |
| InChI Key: | HEECSXZOKDLYOB-UHFFFAOYSA-N |