이름: 4-amino-2-[(2-phthalimidoethyl)-thiomethyl]pyrimidine
SMILES:
Nc1ccnc(CSCCN2C(=O)c3ccccc3C2=O)n1Molecular Processing
Molecular formula
C15H14N4O2S
Molecular weight
314.37
Exact mass
314.0837
XLogP
1.59
TPSA
89.18
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
84.42
Supplementary Information
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