이름: 3-(2,4-dichlorophenyl)-7-methanesulfonyl-3,4-dihydro-1-methylpyrimido[4,5-d]pyrimidin-2(1H)-one
SMILES:
CN1C(=O)N(c2ccc(Cl)cc2Cl)Cc2cnc(S(C)(=O)=O)nc21Molecular Processing
Molecular formula
C14H12Cl2N4O3S
Molecular weight
387.25
Exact mass
386.0007
XLogP
2.76
TPSA
83.47
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
91.59
Supplementary Information
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