CCOP(=O)(OCC)C1CC[C@H]2CCC[C@@H](c3ccc(Cl)cc3)N2C1=O
Название: (6S,9aR)-6-(4-chlorophenyl)-3-diethoxyphosphoryl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILES: CCOP(=O)(OCC)C1CC[C@H]2CCC[C@@H](c3ccc(Cl)cc3)N2C1=O

Molecular Processing

Molecular formula
C19H27ClNO4P
Molecular weight
399.86
Exact mass
399.1366
XLogP
5.19
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
102.56

Supplementary Information

InChIKey: KNVUPIYIBBWXKW-DVKDBIPTSA-N
Синонимы
SCHEMBL2575504KNVUPIYIBBWXKW-DVKDBIPTSA-N[(6S,9aR)-6-(4-chlorophenyl)-4-oxooctahydroquinolizin-3-yl]phosphonic acid diethyl esterdiethyl [(6S,9aR)-6-(4-chlorophenyl)-4-oxooctahydroquinolizin-3-yl]phosphonatediethyl[(6S,9aR)-6-(4-chlorophenyl)-4-oxooctahydroquinolizin-3-yl]phosphonate
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