(11aR)-3-{1-[(thiophen-3-yl)acetyl]piperidin-4-yl}decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(11aR)-3-{1-[(thiophen-3-yl)acetyl]piperidin-4-yl}decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(11aR)-3-{1-[(thiophen-3-yl)acetyl]piperidin-4-yl}decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
Compound ID: | N109-0063 |
Compound Name: | (11aR)-3-{1-[(thiophen-3-yl)acetyl]piperidin-4-yl}decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
Molecular Weight: | 401.57 |
Molecular Formula: | C22 H31 N3 O2 S |
Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C1CCN(CC1)C(Cc1ccsc1)=O)=O |
Stereo: | ABSOLUTE |
logP: | 2.1182 |
logD: | -1.2135 |
logSw: | -2.3485 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 36.705 |
InChI Key: | GRSCQWRTGDHKAE-NLWGTHIKSA-N |