Name: 2-[5-(methanesulfonyl-(tert-butoxycarbonyl)-amino-methyl)-pyridin-3-yl]-1-methyl-indole
SMILES:
Cn1c(-c2cncc(C(N)(C(=O)OC(C)(C)C)S(C)(=O)=O)c2)cc2ccccc21Molecular Processing
Molecular formula
C21H25N3O4S
Molecular weight
415.52
Exact mass
415.1566
XLogP
2.74
TPSA
104.28
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
112.7
Supplementary Information
Details werden geladen…
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