N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}-3,4-dimethylbenzamide
N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | F340-0359 |
| Compound Name: | N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}-3,4-dimethylbenzamide |
| Molecular Weight: | 445.61 |
| Molecular Formula: | C27 H35 N5 O |
| Smiles: | CCn1c(C)c(CN\C(NC(c2ccc(C)c(C)c2)=O)=N/c2ccc(cc2)C(C)C)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4515 |
| logD: | 4.5505 |
| logSw: | -5.3913 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.129 |
| InChI Key: | KJBBWYZGGHQZOW-UHFFFAOYSA-N |