이름: N-(3-(2-Chloro-6-iodo-4-morpholinothieno[3,2-d]pyrimidine-6-yl)phenyl)-N-methylacetamide
SMILES:
CC(=O)N(C)c1cccc(C2(I)Cc3nc(Cl)nc(N4CCOCC4)c3S2)c1Molecular Processing
Molecular formula
C19H20ClIN4O2S
Molecular weight
530.82
Exact mass
530.004
XLogP
3.89
TPSA
58.56
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
28
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
0.421
Molar refractivity
120.86
Supplementary Information
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