이름: 2-[[4-[2-(diethylamino)ethoxy]phenyl]amino]-4-(methylamino)-5-nitropyrimidine
SMILES:
CCN(CC)CCOc1ccc(Nc2ncc([N+](=O)[O-])c(NC)n2)cc1Molecular Processing
Molecular formula
C17H24N6O3
Molecular weight
360.42
Exact mass
360.191
XLogP
2.89
TPSA
105.45
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
101.24
Supplementary Information
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