Structure Info
- Chemspace ID
- CSCS00132465809 (Synthesis)
- MFCD
- MFCD00367625
- IUPAC Name
- ethyl 4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- Mol formula
- C21H23Cl2NO3
- Mol weight
- 408 Da
- Catalog Number(s)
- CSC132465809, IBS-E0016082, IBS-L0034315, OSSK_136415, PBMR214574, STK164616, UZI/7101628, Z56755135
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.29
- Heavy atoms count
- 27
- Rotatable bond count
- 4
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.42857142857143
- Polar surface area (Å)
- 55
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00132465809
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