CC(C)(C)OC(=O)CCCS(=O)(=O)N(C1=CC=C(C=C1)OC)C(=O)C2=C3C=CSC3=NC4=CC=CC=C42
Name: tert-butyl 4-[(4-methoxyphenyl)-(thieno[2,3-b]quinoline-4-carbonyl)sulfamoyl]butanoate
SMILES: CC(C)(C)OC(=O)CCCS(=O)(=O)N(C1=CC=C(C=C1)OC)C(=O)C2=C3C=CSC3=NC4=CC=CC=C42

Molecular Processing

Molecular formula
C27H28N2O6S2
Molecular weight
540.66
Exact mass
540.1389
XLogP
5.56
TPSA
102.87
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
145.8

Supplementary Information

InChIKey: VNGBBNZPAGCVPQ-UHFFFAOYSA-N
Synonyme
SCHEMBL3428092VNGBBNZPAGCVPQ-UHFFFAOYSA-NN-(4-methoxy-phenyl)-N-(tert-butyl-oxycarbonylpropyl-sulfonyl)-thieno[2,3-b]quinoline-4-carboxamide
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