SMILES:
COC(=O)C1=C(CCc2ccccc2C(=O)N2CCNCC2)NC(CC(=O)N2CCN(C3CC4CCC(C3)N4C)CC2)=C(C(=O)OC)C1c1c(Cl)cccc1ClMolecular Processing
Molecular formula
C42H52Cl2N6O6
Molecular weight
807.82
Exact mass
806.3325
XLogP
4.37
TPSA
123.76
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
56
Rings
7
Aromatic rings
2
Saturated rings
4
Aliphatic rings
5
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
214.32
Supplementary Information
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