ethyl 2-[(3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-3722 |
| Compound Name: | ethyl 2-[(3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 415.59 |
| Molecular Formula: | C24 H33 N O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C12CC3CC(C)(CC(C)(C3)C2)C1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0535 |
| logD: | 2.8358 |
| logSw: | -5.4635 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.832 |
| InChI Key: | XLFCYUNHKBDJJR-UHFFFAOYSA-N |