الاسم: (2-{(E)-3-[1-(biphenyl-4-sulfonyl)-1H-pyrrol-3-yl]-allanoylamino}-phenyl)-carbamic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)Nc1ccccc1NC(=O)/C=C/c1ccn(S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1Molecular Processing
Molecular formula
C30H29N3O5S
Molecular weight
543.65
Exact mass
543.1828
XLogP
6.39
TPSA
106.5
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
39
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
152.86
Supplementary Information
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