Name: title compound
SMILES:
CC1(C)CCCC(NC(=O)c2cc3nc(Nc4c(Cl)cncc4Cl)[nH]c3c3c2OC(C)(C)C3)C1Molecular Processing
Molecular formula
C25H29Cl2N5O2
Molecular weight
502.45
Exact mass
501.1698
XLogP
6.42
TPSA
91.93
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
135.55
Supplementary Information
Details werden geladen…
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