Name: 4-(2-Phenyl-cyclopropylcarbamoyl)-pyrrolidine-1,2-dicarboxylic acid 1-benzyl ester 2-methyl ester
SMILES:
COC(=O)C1CC(C(=O)NC2CC2c2ccccc2)CN1C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C24H26N2O5
Molecular weight
422.48
Exact mass
422.1842
XLogP
2.86
TPSA
84.94
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
112.97
Supplementary Information
Details werden geladen…
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