N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}-3,5-dimethylbenzamide
Chemical Structure Depiction of
N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}-3,5-dimethylbenzamide
N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}-3,5-dimethylbenzamide
Compound characteristics
| Compound ID: | F340-0745 |
| Compound Name: | N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}-3,5-dimethylbenzamide |
| Molecular Weight: | 449.62 |
| Molecular Formula: | C25 H31 N5 O S |
| Smiles: | CCn1c(C)c(CN\C(NC(c2cc(C)cc(C)c2)=O)=N/c2cccc(c2)SC)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5857 |
| logD: | 4.5393 |
| logSw: | -4.4019 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.129 |
| InChI Key: | CWBCDCCRYVKTPM-UHFFFAOYSA-N |