CC(C)[C@@H](Nc1nc(Cl)nc2c1SCC2)C(N)=O
名称: (R)-2-(2-chloro-6,7-dihydro-thieno[3,2-d]pyrimidin-4-ylamino)-3-methyl-butyramide
SMILES: CC(C)[C@@H](Nc1nc(Cl)nc2c1SCC2)C(N)=O

Molecular Processing

Molecular formula
C11H15ClN4OS
Molecular weight
286.79
Exact mass
286.0655
XLogP
1.7
TPSA
80.9
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
72.91

Supplementary Information

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