CCCC1=NNC(=O)C1=C1C=C(Sc2ccc(NC(=O)c3ccco3)cc2)c2ccccc2N1
SMILES: CCCC1=NNC(=O)C1=C1C=C(Sc2ccc(NC(=O)c3ccco3)cc2)c2ccccc2N1

Molecular Processing

Molecular formula
C26H22N4O3S
Molecular weight
470.55
Exact mass
470.1413
XLogP
5.63
TPSA
95.73
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.115
Molar refractivity
134.51

Supplementary Information

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