이름: 7-[N′-tert-butyl-N′-(3,5-dimethyl-benzoyl)-hydrazinocarbonyl]-8-methyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid
SMILES:
Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)OC(C(=O)O)CO3)C(C)(C)C)c1Molecular Processing
Molecular formula
C24H28N2O6
Molecular weight
440.5
Exact mass
440.1947
XLogP
3.42
TPSA
105.17
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
118.03
Supplementary Information
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