Name: 6-(3′,4′-Dimethoxy-biphenyl-4-yl)-4-(2-trimethylsilanyl-ethoxymethyl)-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
SMILES:
COc1ccc(-c2ccc(-c3nn(COCC[Si](C)(C)C)c4c3Cc3sccc3-4)cc2)cc1OCMolecular Processing
Molecular formula
C28H32N2O3SSi
Molecular weight
504.73
Exact mass
504.1903
XLogP
7.18
TPSA
45.51
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
146.43
Supplementary Information
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