Name: N-(5-chloro-7-iodo-1,3-benzodioxol-4-yl)-5-isopropoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILES:
CC(C)Oc1cc(OCCCN2CCOCC2)cc2ncnc(Nc3c(Cl)cc(I)c4c3OCO4)c12Molecular Processing
Molecular formula
C25H28ClIN4O5
Molecular weight
626.88
Exact mass
626.0793
XLogP
5.25
TPSA
87.2
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
146.25
Supplementary Information
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