N-{rel-(1R,5S)-8-[(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-methylpyrazine-2-carboxamide
Chemical Structure Depiction of
N-{rel-(1R,5S)-8-[(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-methylpyrazine-2-carboxamide
N-{rel-(1R,5S)-8-[(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-methylpyrazine-2-carboxamide
Compound characteristics
| Compound ID: | T651-0670 |
| Compound Name: | N-{rel-(1R,5S)-8-[(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-methylpyrazine-2-carboxamide |
| Molecular Weight: | 428.92 |
| Molecular Formula: | C22 H25 Cl N4 O3 |
| Smiles: | Cc1cnc(cn1)C(NC1C[C@@H]2CC[C@H](C1)N2C(Cc1ccc(c(c1)[Cl])OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5904 |
| logD: | 1.5904 |
| logSw: | -2.5726 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.89 |
| InChI Key: | IXIFDYAKEHOTDB-ALOPSCKCSA-N |