Name: benzyl-{2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl}-(4-pyridin-3-yl-butyl)amine
SMILES:
Cc1cc(C)cc(-c2[nH]c3ccc(N=C=O)cc3c2CCN(CCCCc2cccnc2)Cc2ccccc2)c1Molecular Processing
Molecular formula
C35H36N4O
Molecular weight
528.7
Exact mass
528.2889
XLogP
7.88
TPSA
61.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
40
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.257
Molar refractivity
163.59
Supplementary Information
Details werden geladen…
An 4 Reaktionen beteiligt→