2-(4-nitrophenyl)-2-oxoethyl 3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-1-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-1-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-1-carboxylate
Compound characteristics
| Compound ID: | 8006-5228 |
| 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-1-carboxylate |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C27 H24 N2 O5 |
| Smiles: | C1C=CC2C1CN1CC3CC=CC3c3c(ccc2c13)C(=O)OCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3575 |
| logD: | 5.3575 |
| logSw: | -5.7385 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.047 |
| InChI Key: | ZQMRKDKGGFLAHB-UHFFFAOYSA-N |