4-tert-butyl-N-{N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}benzamide
4-tert-butyl-N-{N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F340-3353 |
| Compound Name: | 4-tert-butyl-N-{N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}benzamide |
| Molecular Weight: | 477.67 |
| Molecular Formula: | C27 H35 N5 O S |
| Smiles: | CCCn1cc(CN\C(NC(c2ccc(cc2)C(C)(C)C)=O)=N/c2cccc(c2)SC)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.6845 |
| logD: | 5.6742 |
| logSw: | -5.2524 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.96 |
| InChI Key: | QHXGKBPQZXCGLE-UHFFFAOYSA-N |