CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(Cl)c(-c3cccc(CN4CC5CC4CN5)c3)c2)c1
SMILES: CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(Cl)c(-c3cccc(CN4CC5CC4CN5)c3)c2)c1

Molecular Processing

Molecular formula
C43H49ClN8O3
Molecular weight
761.37
Exact mass
760.3616
XLogP
6.33
TPSA
125.44
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
55
Rings
8
Aromatic rings
5
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.395
Molar refractivity
216.32

Supplementary Information

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