rel-(8aR,11aS)-1-(6-methoxypyridine-3-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-(6-methoxypyridine-3-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,11aS)-1-(6-methoxypyridine-3-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S788-0054 |
| Compound Name: | rel-(8aR,11aS)-1-(6-methoxypyridine-3-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 331.41 |
| Molecular Formula: | C18 H25 N3 O3 |
| Smiles: | COc1ccc(cn1)C(N1CCCCCNC([C@@H]2CCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3527 |
| logD: | 1.3527 |
| logSw: | -2.0281 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.456 |
| InChI Key: | WTDOXKAYYPYNNK-CABCVRRESA-N |