1-[rel-(3R,3aS)-3-(4-bromophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,3aS)-3-(4-bromophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethan-1-one
1-[rel-(3R,3aS)-3-(4-bromophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 6395-0023 |
| Compound Name: | 1-[rel-(3R,3aS)-3-(4-bromophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethan-1-one |
| Molecular Weight: | 348.24 |
| Molecular Formula: | C16 H18 Br N3 O |
| Smiles: | CC(N1[C@@H](c2ccc(cc2)[Br])[C@@H]2C(C3CCN2CC3)=N1)=O |
| Stereo: | RELATIVE |
| logP: | 3.0732 |
| logD: | 3.0732 |
| logSw: | -2.7976 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5421 |
| InChI Key: | YHNOBRWBDPYSQK-HZPDHXFCSA-N |