SMILES:
O=C(NCC(=O)N1CCC(Oc2cccc(Cl)c2)CC1)c1cc(-c2ccccc2)[nH]n1Molecular Processing
Molecular formula
C23H23ClN4O3
Molecular weight
438.92
Exact mass
438.1459
XLogP
3.53
TPSA
87.32
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
118.04
Supplementary Information
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