이름: 3-methyl 2-{4-[(5-oxo-2-phenyl-5,6-dihydro-4H-1,3,4-oxadiazin-4-yl)methyl]phenyl}butanoic acid
SMILES:
CC(C)C(C(=O)O)c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1Molecular Processing
Molecular formula
C21H22N2O4
Molecular weight
366.42
Exact mass
366.158
XLogP
3.23
TPSA
79.2
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
101.14
Supplementary Information
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