N-{N'-(4-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,5-dimethylbenzamide
Chemical Structure Depiction of
N-{N'-(4-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,5-dimethylbenzamide
N-{N'-(4-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,5-dimethylbenzamide
Compound characteristics
| Compound ID: | F340-1990 |
| Compound Name: | N-{N'-(4-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,5-dimethylbenzamide |
| Molecular Weight: | 468.4 |
| Molecular Formula: | C23 H26 Br N5 O |
| Smiles: | Cc1cc(C)cc(c1)C(NC(/NCc1c(C)nn(C)c1C)=N/c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2727 |
| logD: | 4.045 |
| logSw: | -4.3587 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.691 |
| InChI Key: | ZWAGFNIPZUUPTB-UHFFFAOYSA-N |