2-bromo-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(3-methylphenyl)carbamimidoyl}benzamide
Chemical Structure Depiction of
2-bromo-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(3-methylphenyl)carbamimidoyl}benzamide
2-bromo-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(3-methylphenyl)carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F340-0840 |
| Compound Name: | 2-bromo-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(3-methylphenyl)carbamimidoyl}benzamide |
| Molecular Weight: | 468.4 |
| Molecular Formula: | C23 H26 Br N5 O |
| Smiles: | CCn1c(C)c(CN\C(NC(c2ccccc2[Br])=O)=N/c2cccc(C)c2)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.115 |
| logD: | 3.4523 |
| logSw: | -4.3335 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.129 |
| InChI Key: | YIDQCFSHARVPME-UHFFFAOYSA-N |