N-{N'-(4-bromophenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3-chlorobenzamide
Chemical Structure Depiction of
N-{N'-(4-bromophenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3-chlorobenzamide
N-{N'-(4-bromophenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3-chlorobenzamide
Compound characteristics
Compound ID: | F340-0280 |
Compound Name: | N-{N'-(4-bromophenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3-chlorobenzamide |
Molecular Weight: | 488.81 |
Molecular Formula: | C22 H23 Br Cl N5 O |
Smiles: | CCn1c(C)c(CN\C(NC(c2cccc(c2)[Cl])=O)=N/c2ccc(cc2)[Br])c(C)n1 |
Stereo: | ACHIRAL |
logP: | 4.6241 |
logD: | 4.3967 |
logSw: | -4.6373 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 56.129 |
InChI Key: | LJZLAIQGROZZHV-UHFFFAOYSA-N |