Name: 5-chloro-6-methyl-4-(3-nitrobenzylamino)-thieno-[2,3-d]-pyrimidine
SMILES:
Cc1sc2ncnc(NCc3cccc([N+](=O)[O-])c3)c2c1ClMolecular Processing
Molecular formula
C14H11ClN4O2S
Molecular weight
334.79
Exact mass
334.0291
XLogP
4.17
TPSA
80.95
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
87.59
Supplementary Information
Details werden geladen…
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