名称: 2-(2,5-dichloro-pyrimidin-4-ylamino)-N-methyl-N-prop-2-ynyl-benzamide
SMILES:
C#CCN(C)C(=O)c1ccccc1Nc1nc(Cl)ncc1ClMolecular Processing
Molecular formula
C15H12Cl2N4O
Molecular weight
335.19
Exact mass
334.0388
XLogP
3.23
TPSA
58.12
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
87.57
Supplementary Information
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