N-{N'-(3-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{N'-(3-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-fluorobenzamide
N-{N'-(3-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | F340-2057 |
| Compound Name: | N-{N'-(3-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-fluorobenzamide |
| Molecular Weight: | 458.33 |
| Molecular Formula: | C21 H21 Br F N5 O |
| Smiles: | Cc1c(CN\C(NC(c2ccc(cc2)F)=O)=N/c2cccc(c2)[Br])c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5912 |
| logD: | 3.3656 |
| logSw: | -3.9347 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.691 |
| InChI Key: | LJQIFOFYXPHGBV-UHFFFAOYSA-N |