Name: phthalidyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate
SMILES:
CCCc1nc(C(C)(C)O)c(C(=O)OC2OC(=O)c3ccccc32)[nH]1Molecular Processing
Molecular formula
C18H20N2O5
Molecular weight
344.37
Exact mass
344.1372
XLogP
2.62
TPSA
101.51
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
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
0.389
Molar refractivity
87.84
Supplementary Information
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