3,4-diethoxy-N-{N'-[3-(methylsulfanyl)phenyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
3,4-diethoxy-N-{N'-[3-(methylsulfanyl)phenyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
3,4-diethoxy-N-{N'-[3-(methylsulfanyl)phenyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F340-1869 |
| Compound Name: | 3,4-diethoxy-N-{N'-[3-(methylsulfanyl)phenyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide |
| Molecular Weight: | 495.64 |
| Molecular Formula: | C26 H33 N5 O3 S |
| Smiles: | CCOc1ccc(cc1OCC)C(NC(/NCc1c(C)nn(C)c1C)=N/c1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3123 |
| logD: | 3.2668 |
| logSw: | -3.6803 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.111 |
| InChI Key: | STSZXRMBQATBIJ-UHFFFAOYSA-N |