Name: 1-[3-{2-[benzyl-(4-pyridin-3-yl-butyl)amino]ethyl}-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-4-methyl-1,4-dihydrotetrazol-5-one
SMILES:
Cc1cc(C)cc(-c2[nH]c3ccc(-n4nnn(C)c4=O)cc3c2CCN(CCCCc2cccnc2)Cc2ccccc2)c1Molecular Processing
Molecular formula
C36H39N7O
Molecular weight
585.76
Exact mass
585.3216
XLogP
6.19
TPSA
84.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
44
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
175.96
Supplementary Information
Details werden geladen…
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