3-(dimethylamino)-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
3-(dimethylamino)-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}benzamide
3-(dimethylamino)-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F340-0090 |
| Compound Name: | 3-(dimethylamino)-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}benzamide |
| Molecular Weight: | 464.63 |
| Molecular Formula: | C25 H32 N6 O S |
| Smiles: | CCn1c(C)c(CN\C(NC(c2cccc(c2)N(C)C)=O)=N/c2cccc(c2)SC)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0531 |
| logD: | 4.0076 |
| logSw: | -4.0796 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.934 |
| InChI Key: | SZMHTGSSXYUWHW-UHFFFAOYSA-N |