CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc(N)c(C(=O)c4cccc(F)c4)s3)cc2)CC1
名称: 1,1-dimethylethyl ester
SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc(N)c(C(=O)c4cccc(F)c4)s3)cc2)CC1

Molecular Processing

Molecular formula
C25H28FN5O3S
Molecular weight
497.6
Exact mass
497.1897
XLogP
4.9
TPSA
100.79
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
136.1

Supplementary Information

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