2-(4-nitrophenyl)-2-oxoethyl 3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylate
Chemical Structure Depiction of
2-(4-nitrophenyl)-2-oxoethyl 3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylate
2-(4-nitrophenyl)-2-oxoethyl 3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylate
Compound characteristics
Compound ID: | 8006-5231 |
Compound Name: | 2-(4-nitrophenyl)-2-oxoethyl 3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylate |
Molecular Weight: | 456.5 |
Molecular Formula: | C27 H24 N2 O5 |
Smiles: | C1C=CC2C1CN1CC3CC=CC3c3cc(cc2c13)C(=O)OCC(c1ccc(cc1)[N+]([O-])=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.5357 |
logD: | 5.5357 |
logSw: | -5.931 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 72.047 |
InChI Key: | UDSSIJUPXWYCDQ-UHFFFAOYSA-N |