O=Cc1ccc(-c2ccc(C(CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)[nH]2)nc1
SMILES: O=Cc1ccc(-c2ccc(C(CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)[nH]2)nc1

Molecular Processing

Molecular formula
C26H28N2O4S
Molecular weight
464.59
Exact mass
464.177
XLogP
4.77
TPSA
89.12
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
126.06

Supplementary Information

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