1-[4-(prop-2-en-1-yl)piperazin-1-yl]-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butan-1-one
Chemical Structure Depiction of
1-[4-(prop-2-en-1-yl)piperazin-1-yl]-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butan-1-one
1-[4-(prop-2-en-1-yl)piperazin-1-yl]-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | N121-0683 |
| Compound Name: | 1-[4-(prop-2-en-1-yl)piperazin-1-yl]-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butan-1-one |
| Molecular Weight: | 465.68 |
| Molecular Formula: | C28 H43 N5 O |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCN(CC2)CC=C)=O)N(Cc2cccnc2)C1 |
| Stereo: | ABSOLUTE |
| logP: | 1.2654 |
| logD: | 0.0554 |
| logSw: | -1.1031 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.872 |
| InChI Key: | KHARTOLAOWJCDM-IYUNARRTSA-N |