O=C(OCc1ccccc1)N1CCC(S(=O)(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)CC1
SMILES: O=C(OCc1ccccc1)N1CCC(S(=O)(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)CC1

Molecular Processing

Molecular formula
C26H26N4O4S
Molecular weight
490.59
Exact mass
490.1675
XLogP
4.77
TPSA
104.39
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
135.29

Supplementary Information

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