2-(4-bromophenyl)-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-bromophenyl)-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-bromophenyl)-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: | 8006-5227 |
| Compound Name: | 2-(4-bromophenyl)-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: | 490.4 |
| Molecular Formula: | C27 H24 Br N O3 |
| Smiles: | C1C=CC2C1CN1CC3CC=CC3c3cc(cc2c13)C(=O)OCC(c1ccc(cc1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4439 |
| logD: | 6.4439 |
| logSw: | -6.1931 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.666 |
| InChI Key: | YKJMQPTYJSHAOV-UHFFFAOYSA-N |