名称: 2-t-Butoxycarbonyl-1-(3,4-methylenedioxyphenyl)-2,3,4,9-tetrahydro-1H-β-carboline
SMILES:
CC(C)(C)OC(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C23H24N2O4
Molecular weight
392.46
Exact mass
392.1736
XLogP
4.78
TPSA
63.79
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
109.35
Supplementary Information
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