SMILES:
CC(C)(C)NCC(COc1cccc2c1CC(=O)N2)OC(=O)c1cccnc1Molecular Processing
Molecular formula
C21H25N3O4
Molecular weight
383.45
Exact mass
383.1845
XLogP
2.57
TPSA
89.55
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
105.47
Supplementary Information
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