O=S1CCN(c2nc(N3CCCC(O)C3)nc3c(OCc4ccccc4)ncnc23)CC1
SMILES: O=S1CCN(c2nc(N3CCCC(O)C3)nc3c(OCc4ccccc4)ncnc23)CC1

Molecular Processing

Molecular formula
C22H26N6O3S
Molecular weight
454.56
Exact mass
454.1787
XLogP
1.53
TPSA
104.57
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
123.45

Supplementary Information

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