ethyl {[4-(2-ethyl-6-methylphenyl)-5-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-(2-ethyl-6-methylphenyl)-5-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[4-(2-ethyl-6-methylphenyl)-5-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C663-0430 |
| Compound Name: | ethyl {[4-(2-ethyl-6-methylphenyl)-5-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 496.67 |
| Molecular Formula: | C27 H36 N4 O3 S |
| Smiles: | CCc1cccc(C)c1n1c(CNC(C23CC4CC(CC(C4)C3)C2)=O)nnc1SCC(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 5.7062 |
| logD: | 5.7061 |
| logSw: | -5.3747 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.235 |
| InChI Key: | BIBSGVGLAZRKFF-UHFFFAOYSA-N |