الاسم: 5-(2-hydroxy-2-pyridin-4-yl-ethyl)-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid methyl ester
SMILES:
COC(=O)c1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CCN(C)C1Molecular Processing
Molecular formula
C21H23N3O3
Molecular weight
365.43
Exact mass
365.1739
XLogP
2.54
TPSA
67.59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
102.51
Supplementary Information
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