O=S(=O)(C1CC1)N1CCC(C#Cc2ccc(-c3nc4nc(O[C@@H]5CO[C@H]6[C@@H]5OC[C@H]6O)[nH]c4cc3Cl)cc2)CC1
SMILES: O=S(=O)(C1CC1)N1CCC(C#Cc2ccc(-c3nc4nc(O[C@@H]5CO[C@H]6[C@@H]5OC[C@H]6O)[nH]c4cc3Cl)cc2)CC1

Molecular Processing

Molecular formula
C28H29ClN4O6S
Molecular weight
585.08
Exact mass
584.1496
XLogP
2.74
TPSA
126.87
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
40
Rings
7
Aromatic rings
3
Saturated rings
4
Aliphatic rings
4
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
147.35

Supplementary Information

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