N-{N'-(4-chloro-2-methylphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-4-cyanobenzamide
Chemical Structure Depiction of
N-{N'-(4-chloro-2-methylphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-4-cyanobenzamide
N-{N'-(4-chloro-2-methylphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-4-cyanobenzamide
Compound characteristics
| Compound ID: | F341-1070 |
| Compound Name: | N-{N'-(4-chloro-2-methylphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-4-cyanobenzamide |
| Molecular Weight: | 462.98 |
| Molecular Formula: | C25 H27 Cl N6 O |
| Smiles: | CCn1c(C)c(CCN/C(NC(c2ccc(C#N)cc2)=O)=N/c2ccc(cc2C)[Cl])c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4371 |
| logD: | 4.3116 |
| logSw: | -4.5379 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.329 |
| InChI Key: | UIQMABBXBCSKQQ-UHFFFAOYSA-N |