名称: 6-neopentyloxy-5-nitro-2-piperazino-4-thiomorpholino-pyrimidine
SMILES:
CC(C)(C)COc1nc(N2CCNCC2)nc(N2CCSCC2)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C17H28N6O3S
Molecular weight
396.52
Exact mass
396.1944
XLogP
1.77
TPSA
96.66
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.765
Molar refractivity
108.26
Supplementary Information
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