4-acetamido-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
4-acetamido-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}benzamide
4-acetamido-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F340-0515 |
| Compound Name: | 4-acetamido-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}benzamide |
| Molecular Weight: | 478.62 |
| Molecular Formula: | C25 H30 N6 O2 S |
| Smiles: | CCn1c(C)c(CN\C(NC(c2ccc(cc2)NC(C)=O)=O)=N/c2cccc(c2)SC)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9367 |
| logD: | 2.8911 |
| logSw: | -3.4356 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.391 |
| InChI Key: | ZXWMPUNORVPMNA-UHFFFAOYSA-N |