C=C1CN(C(=O)OCc2ccccc2)N(C(=O)OC(C)(C)C)C1
名称: 4-methylenepyrazolidine-1,2-dicarboxylic acid 1-benzyl ester 2-tert-butyl ester
SMILES: C=C1CN(C(=O)OCc2ccccc2)N(C(=O)OC(C)(C)C)C1

Molecular Processing

Molecular formula
C17H22N2O4
Molecular weight
318.37
Exact mass
318.158
XLogP
3.35
TPSA
59.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
85.41

Supplementary Information

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