الاسم: [7-(2-chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-yl]-[3-(2-pyrrolidin-1-yl-ethylsulfanyl)-phenyl]-amine
SMILES:
COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(SCCN5CCCC5)c4)nnc3c2)c1Molecular Processing
Molecular formula
C27H28ClN5OS
Molecular weight
506.08
Exact mass
505.1703
XLogP
6.59
TPSA
63.17
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
145.19
Supplementary Information
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