Name: 2-(3-Sulfamoyl-phenylamino)-5,6-dihydro-thieno[2,3-h]quinazoline-8-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)c1cc2c(s1)CCc1cnc(Nc3cccc(S(N)(=O)=O)c3)nc1-2Molecular Processing
Molecular formula
C21H22N4O4S2
Molecular weight
458.57
Exact mass
458.1082
XLogP
3.65
TPSA
124.27
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
119.02
Supplementary Information
Details werden geladen…
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