SMILES:
Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(C(C)N4CCC(C(=O)O)C4)cc3)cc12Molecular Processing
Molecular formula
C28H30N4O2
Molecular weight
454.57
Exact mass
454.2369
XLogP
4.93
TPSA
92.34
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
135.77
Supplementary Information
Details werden geladen…
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