Structure Info
- Chemspace ID
- CSMB00028084858 (Enamine MADE)
- CAS
- 181480-19-3
- MFCD
- MFCD00572480
- IUPAC Name
- ethyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- Mol formula
- C21H24ClNO3
- Mol weight
- 374 Da
- Catalog Number(s)
- AG-205/06522024, ArZ-UP227882, CSC028084858, EN300-18211310, IBS-L0034308, LN01095649, OSSL_297169, PB56832626, Z56755158, ZX-NM247888
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.69
- 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
- CSMB00028084858
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