4-cyano-N-{N'-(3,4-dimethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
4-cyano-N-{N'-(3,4-dimethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
4-cyano-N-{N'-(3,4-dimethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F341-0982 |
| Compound Name: | 4-cyano-N-{N'-(3,4-dimethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C26 H30 N6 O3 |
| Smiles: | CCn1c(C)c(CCN/C(NC(c2ccc(C#N)cc2)=O)=N/c2ccc(c(c2)OC)OC)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7408 |
| logD: | 2.3722 |
| logSw: | -3.2175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.288 |
| InChI Key: | HQGWEJLQGINNNP-UHFFFAOYSA-N |