CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(-c2cc(CCC)ccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F
SMILES: CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(-c2cc(CCC)ccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F

Molecular Processing

Molecular formula
C37H36Cl2FN5O5S
Molecular weight
752.7
Exact mass
751.1798
XLogP
7.57
TPSA
132.16
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
51
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.243
Molar refractivity
196.79

Supplementary Information

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