SMILES:
O=C1NC(=O)c2ccc(-c3ccco3)cc2C1=CNc1ccc(CN2CCCC2CO)cc1Molecular Processing
Molecular formula
C26H25N3O4
Molecular weight
443.5
Exact mass
443.1845
XLogP
3.63
TPSA
94.81
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
125.18
Supplementary Information
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