2-methoxy-5-{[(propan-2-yl)(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-5-{[(propan-2-yl)(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-methoxy-5-{[(propan-2-yl)(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-2581 |
| Compound Name: | 2-methoxy-5-{[(propan-2-yl)(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 565.65 |
| Molecular Formula: | C29 H34 F3 N O5 S |
| Smiles: | CC(C)N(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6731 |
| logD: | 6.6731 |
| logSw: | -5.8529 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.705 |
| InChI Key: | JQGKHUPSMPJVER-UHFFFAOYSA-N |