2-bromo-N-{N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-phenylcarbamimidoyl}benzamide
Chemical Structure Depiction of
2-bromo-N-{N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-phenylcarbamimidoyl}benzamide
2-bromo-N-{N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-phenylcarbamimidoyl}benzamide
Compound characteristics
Compound ID: | F341-0024 |
Compound Name: | 2-bromo-N-{N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-phenylcarbamimidoyl}benzamide |
Molecular Weight: | 468.4 |
Molecular Formula: | C23 H26 Br N5 O |
Smiles: | CCn1c(C)c(CCN\C(NC(c2ccccc2[Br])=O)=N/c2ccccc2)c(C)n1 |
Stereo: | ACHIRAL |
logP: | 3.4366 |
logD: | 3.3322 |
logSw: | -3.8396 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 55.971 |
InChI Key: | JRXSJXHITBAZFX-UHFFFAOYSA-N |