N-{N'-(3-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{N'-(3-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3-methylbenzamide
N-{N'-(3-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | F340-1737 |
| Compound Name: | N-{N'-(3-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3-methylbenzamide |
| Molecular Weight: | 454.37 |
| Molecular Formula: | C22 H24 Br N5 O |
| Smiles: | Cc1cccc(c1)C(NC(/NCc1c(C)nn(C)c1C)=N/c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9332 |
| logD: | 3.7119 |
| logSw: | -4.0654 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.691 |
| InChI Key: | LNSPNLQBGVZSDK-UHFFFAOYSA-N |