Structure Info
- Chemspace ID
- CSCS00121726070 (Synthesis)
- MFCD
- MFCD00653000
- IUPAC Name
- ethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- Mol formula
- C21H24BrNO3
- Mol weight
- 418 Da
- Catalog Number(s)
- 5470016, AG-205/06523062, CSC121726070, IBS-E0022031, IBS-L0033146, OSSL_125117, PBMR214560, STK369330, UZI/7112679, Z56755161
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.85
- Heavy atoms count
- 26
- Rotatable bond count
- 4
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.428
- Polar surface area (Å)
- 55
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00121726070
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