Name: 7-methoxy-2,2-dimethyl-benzo[1,3]dioxole-5-carboxylic acid (4-hydroxy-pyrrolidin-2-ylmethyl)-(2-methyl-3-phenyl-allyl)-amide
SMILES:
COc1cc(C(=O)N(CC(C)=Cc2ccccc2)CC2CC(O)CN2)cc2c1OC(C)(C)O2Molecular Processing
Molecular formula
C26H32N2O5
Molecular weight
452.55
Exact mass
452.2311
XLogP
3.47
TPSA
80.26
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
126.74
Supplementary Information
Details werden geladen…
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