Nombre: (+)(2aR,4S)-l-benzoyl-6-iodo-4-(di-n-propylamino)-1,2,2a,3,4,5-hexahydrobenz[cd]indole
SMILES:
CCCN(CCC)[C@@H]1Cc2c(I)ccc3c2[C@@H](C1)CN3C(=O)c1ccccc1Molecular Processing
Molecular formula
C24H29IN2O
Molecular weight
488.41
Exact mass
488.1325
XLogP
5.47
TPSA
23.55
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
124.28
Supplementary Information
Obteniendo detalles…
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