SMILES:
CCC(CC)c1cc(C)nn2c(-c3c(C)sc4c(C5(C)CC5)cccc34)c(C)nc12Molecular Processing
Molecular formula
C26H31N3S
Molecular weight
417.62
Exact mass
417.2239
XLogP
7.49
TPSA
30.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
127.93
Supplementary Information
Obteniendo detalles…
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