Name: {2-[5-acetylamino-2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl}-[4-(4-amino(dimethanesulfonyl)phenyl)butyl] carbamic acid tert-butyl ester
SMILES:
CC(=O)Nc1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCN(CCCCc3ccc(N)c(S(C)(=O)=O)c3S(C)(=O)=O)C(=O)OC(C)(C)C)c2c1Molecular Processing
Molecular formula
C37H48N4O7S2
Molecular weight
724.95
Exact mass
724.2964
XLogP
6.6
TPSA
168.73
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
50
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.405
Molar refractivity
199.04
Supplementary Information
Details werden geladen…
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