SMILES:
CC(C)(C)OC(=O)N1CCC(Oc2cc(N3CCOCC3)ccc2C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1Molecular Processing
Molecular formula
C33H38ClN5O6
Molecular weight
636.15
Exact mass
635.2511
XLogP
5.85
TPSA
122.33
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
45
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.394
Molar refractivity
172.53
Supplementary Information
Details werden geladen…
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