Name: 6-(4-Bromo-phenyl)-4-(2-trimethylsilanyl-ethoxymethyl)-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
SMILES:
C[Si](C)(C)CCOCn1nc(-c2ccc(Br)cc2)c2c1-c1ccsc1C2Molecular Processing
Molecular formula
C20H23BrN2OSSi
Molecular weight
447.47
Exact mass
446.0484
XLogP
6.26
TPSA
27.05
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
115.59
Supplementary Information
Details werden geladen…
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