N-{N'-(5-chloro-2-methoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-4-cyanobenzamide
Chemical Structure Depiction of
N-{N'-(5-chloro-2-methoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-4-cyanobenzamide
N-{N'-(5-chloro-2-methoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-4-cyanobenzamide
Compound characteristics
| Compound ID: | F341-0216 |
| Compound Name: | N-{N'-(5-chloro-2-methoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-4-cyanobenzamide |
| Molecular Weight: | 478.98 |
| Molecular Formula: | C25 H27 Cl N6 O2 |
| Smiles: | CCn1c(C)c(CCN/C(NC(c2ccc(C#N)cc2)=O)=N/c2cc(ccc2OC)[Cl])c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3748 |
| logD: | 3.3496 |
| logSw: | -3.964 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.96 |
| InChI Key: | MZTLPYKYZVKFNE-UHFFFAOYSA-N |