Name: 2-{[(4-cyano-2-methoxycarbonyl-benzyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-benzoimidazole-1-carboxylic acid tert-butyl ester
SMILES:
COC(=O)c1cc(C#N)ccc1CN(Cc1nc2ccccc2n1C(=O)OC(C)(C)C)C1CCCc2cccnc21Molecular Processing
Molecular formula
C32H33N5O4
Molecular weight
551.65
Exact mass
551.2533
XLogP
5.95
TPSA
110.34
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.344
Molar refractivity
153.02
Supplementary Information
Details werden geladen…
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