Name: methyl N-methyl-N-[(4′-nitro-1,1′-biphenyl-4-yl)sulfonyl]-D-valinate
SMILES:
COC(=O)[C@@H](C(C)C)N(C)S(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1Molecular Processing
Molecular formula
C19H22N2O6S
Molecular weight
406.46
Exact mass
406.1199
XLogP
3.08
TPSA
106.82
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
104.12
Supplementary Information
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