Name: (±)-4,5-dihydro-1-(benzyloxycarbonyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid, t-butyl ester
SMILES:
CC(C)(C)OC(=O)C1CC(c2cccs2)=NN1C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C20H22N2O4S
Molecular weight
386.47
Exact mass
386.13
XLogP
4.21
TPSA
68.2
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
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
0.35
Molar refractivity
103.57
Supplementary Information
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