4-tert-butyl-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}benzamide
4-tert-butyl-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F340-0199 |
| Compound Name: | 4-tert-butyl-N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}benzamide |
| Molecular Weight: | 477.67 |
| Molecular Formula: | C27 H35 N5 O S |
| Smiles: | CCn1c(C)c(CN\C(NC(c2ccc(cc2)C(C)(C)C)=O)=N/c2cccc(c2)SC)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.53 |
| logD: | 5.4844 |
| logSw: | -5.4146 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.129 |
| InChI Key: | KSIIVVMHTNTUDG-UHFFFAOYSA-N |