SMILES:
CCCC(C(=O)OC)c1c(C)nc2cc(C(C)(C)C)nn2c1-c1ccc2sccc2c1Molecular Processing
Molecular formula
C25H29N3O2S
Molecular weight
435.59
Exact mass
435.198
XLogP
6.27
TPSA
56.49
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
126.91
Supplementary Information
Details werden geladen…
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