ethyl 4-[(2-azabicyclo[2.2.1]heptane-2-carbothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(2-azabicyclo[2.2.1]heptane-2-carbothioyl)amino]benzoate
ethyl 4-[(2-azabicyclo[2.2.1]heptane-2-carbothioyl)amino]benzoate
Compound characteristics
| Compound ID: | 8019-6272 |
| Compound Name: | ethyl 4-[(2-azabicyclo[2.2.1]heptane-2-carbothioyl)amino]benzoate |
| Molecular Weight: | 304.41 |
| Molecular Formula: | C16 H20 N2 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CC2CCC1C2)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1932 |
| logD: | 4.1932 |
| logSw: | -4.1145 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.942 |
| InChI Key: | YQTGXYFCOLKVSH-UHFFFAOYSA-N |