N-{N'-(4-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-cyanobenzamide
Chemical Structure Depiction of
N-{N'-(4-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-cyanobenzamide
N-{N'-(4-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-cyanobenzamide
Compound characteristics
| Compound ID: | F340-1953 |
| Compound Name: | N-{N'-(4-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-cyanobenzamide |
| Molecular Weight: | 465.35 |
| Molecular Formula: | C22 H21 Br N6 O |
| Smiles: | Cc1c(CN\C(NC(c2ccc(C#N)cc2)=O)=N/c2ccc(cc2)[Br])c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.077 |
| logD: | 2.85 |
| logSw: | -3.3087 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.747 |
| InChI Key: | HVDQOIWWPNLMML-UHFFFAOYSA-N |