名称: 6-ethoxy-2-(N-formyl-piperazino)-5-nitro-4-(1-oxido-thiomorpholino)-pyrimidine
SMILES:
CCOc1nc(N2CCN(C=O)CC2)nc(N2CCS(=O)CC2)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C15H22N6O5S
Molecular weight
398.45
Exact mass
398.1372
XLogP
-0.37
TPSA
122.01
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
99.79
Supplementary Information
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