(11aR)-3-[4-(2-methylbenzene-1-sulfonyl)piperazine-1-carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(11aR)-3-[4-(2-methylbenzene-1-sulfonyl)piperazine-1-carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(11aR)-3-[4-(2-methylbenzene-1-sulfonyl)piperazine-1-carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | N119-0131 |
| Compound Name: | (11aR)-3-[4-(2-methylbenzene-1-sulfonyl)piperazine-1-carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C23 H32 N4 O4 S |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(N1CCN(CC1)S(c1ccccc1C)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8915 |
| logD: | 1.8915 |
| logSw: | -2.1815 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.445 |
| InChI Key: | HGXIQFAAPPSCMN-XUVXKRRUSA-N |