이름: N-(3-(2-chloro-6-iodo-4-morpholinothieno[3,2-d]pyrimidine-6-yl)phenyl)acetamide
SMILES:
CC(=O)Nc1cccc(C2(I)Cc3nc(Cl)nc(N4CCOCC4)c3S2)c1Molecular Processing
Molecular formula
C18H18ClIN4O2S
Molecular weight
516.79
Exact mass
515.9884
XLogP
3.86
TPSA
67.35
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
116.08
Supplementary Information
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