Structure Info
- Chemspace ID
- CSMB00020668092 (Enamine MADE)
- CAS
- 313967-18-9
- MFCD
- MFCD00330996
- IUPAC Name
- cyclohexyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- Mol formula
- C25H30N2O5
- Mol weight
- 439 Da
- Catalog Number(s)
- 21272, 21342, 40725, 151974, 2412AH, A123790, A279000171, AA00C6CS, ACS-1434, AF68008, AG-19961, AG00C6FK, AN68008, AOS00C6FK, AR00C74K, AS-16463, B3083, BD630637, CD31002285, CS-2407, CSC020668092, D388256, EN300-171387, F401300, HY-15860, IBS-E0015996, LAN-B00710, LN00333098, LQT-B00716, M17475, NMA96718, OSSL_124754, OSSL_820916, PBMR221709, Q65713, R669721, S7399, SAB-052399, STK368879, SYN5099, T3075, Y0975460, scs-1434
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.47
- Heavy atoms count
- 32
- Rotatable bond count
- 5
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.52
- Polar surface area (Å)
- 99
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00020668092
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