SMILES:
O=C1C=C(c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1Molecular Processing
Molecular formula
C23H17N3O2S
Molecular weight
399.48
Exact mass
399.1041
XLogP
5.97
TPSA
64.11
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
115.87
Supplementary Information
Details werden geladen…
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