SMILES:
CC(C)(CN1C(=O)C2COCCN2c2nc(Cl)ncc21)OC1CCCCO1Molecular Processing
Molecular formula
C18H25ClN4O4
Molecular weight
396.88
Exact mass
396.1564
XLogP
2
TPSA
77.02
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.722
Molar refractivity
100.1
Supplementary Information
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