4-{4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanoyl}piperazin-2-one
Chemical Structure Depiction of
4-{4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanoyl}piperazin-2-one
4-{4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanoyl}piperazin-2-one
Compound characteristics
| Compound ID: | N121-0788 |
| Compound Name: | 4-{4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanoyl}piperazin-2-one |
| Molecular Weight: | 390.53 |
| Molecular Formula: | C21 H34 N4 O3 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCNC(C2)=O)=O)N(C1)C(C)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.8287 |
| logD: | -3.4063 |
| logSw: | -0.8069 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.01 |
| InChI Key: | WBIVCIDDEAJPPR-NEYJZJCJSA-N |