3,5-dimethyl-N-{N'-[3-(methylsulfanyl)phenyl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
3,5-dimethyl-N-{N'-[3-(methylsulfanyl)phenyl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
3,5-dimethyl-N-{N'-[3-(methylsulfanyl)phenyl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F341-1919 |
| Compound Name: | 3,5-dimethyl-N-{N'-[3-(methylsulfanyl)phenyl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide |
| Molecular Weight: | 449.62 |
| Molecular Formula: | C25 H31 N5 O S |
| Smiles: | Cc1cc(C)cc(c1)C(NC(/NCCc1c(C)nn(C)c1C)=N/c1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1683 |
| logD: | 4.1546 |
| logSw: | -4.2926 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.532 |
| InChI Key: | KUMCQXKKHRSFIZ-UHFFFAOYSA-N |