SMILES:
O=C(NC(COCC1CCNCC1)c1ccncc1)c1ccc2c(Cl)c[nH]c2c1Molecular Processing
Molecular formula
C22H25ClN4O2
Molecular weight
412.92
Exact mass
412.1666
XLogP
3.7
TPSA
79.04
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
114.17
Supplementary Information
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