CC(=O)NCC1CN(c2ccc(SC(c3ccccc3)(c3ccccc3)c3ccccc3)c(F)c2)C(=O)O1
SMILES: CC(=O)NCC1CN(c2ccc(SC(c3ccccc3)(c3ccccc3)c3ccccc3)c(F)c2)C(=O)O1

Molecular Processing

Molecular formula
C31H27FN2O3S
Molecular weight
526.63
Exact mass
526.1726
XLogP
6.37
TPSA
58.64
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.161
Molar refractivity
147.76

Supplementary Information

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