2-bromo-N-{N'-(3,5-dimethylphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
2-bromo-N-{N'-(3,5-dimethylphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
2-bromo-N-{N'-(3,5-dimethylphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Compound characteristics
Compound ID: | F340-2118 |
Compound Name: | 2-bromo-N-{N'-(3,5-dimethylphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide |
Molecular Weight: | 468.4 |
Molecular Formula: | C23 H26 Br N5 O |
Smiles: | Cc1cc(C)cc(c1)/N=C(\NCc1c(C)nn(C)c1C)NC(c1ccccc1[Br])=O |
Stereo: | ACHIRAL |
logP: | 3.9507 |
logD: | 2.9462 |
logSw: | -4.206 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 56.691 |
InChI Key: | DOAQJMBZZNHJJZ-UHFFFAOYSA-N |