2-bromo-N-{N'-(3-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
2-bromo-N-{N'-(3-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
2-bromo-N-{N'-(3-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F340-2121 |
| Compound Name: | 2-bromo-N-{N'-(3-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide |
| Molecular Weight: | 458.33 |
| Molecular Formula: | C21 H21 Br F N5 O |
| Smiles: | Cc1c(CN\C(NC(c2ccccc2[Br])=O)=N/c2cccc(c2)F)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1533 |
| logD: | 3.0589 |
| logSw: | -3.6702 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.691 |
| InChI Key: | XQLLNCSBGAVSEN-UHFFFAOYSA-N |