(11aR)-3-(2H-1,3-benzodioxole-5-carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(11aR)-3-(2H-1,3-benzodioxole-5-carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(11aR)-3-(2H-1,3-benzodioxole-5-carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | N107-0074 |
| Compound Name: | (11aR)-3-(2H-1,3-benzodioxole-5-carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 342.39 |
| Molecular Formula: | C19 H22 N2 O4 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5112 |
| logD: | 1.5112 |
| logSw: | -1.8938 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.236 |
| InChI Key: | XXBKIYJETRUMOI-NWANDNLSSA-N |