Name: 6-amino-1-[2-[bis(4-methoxyphenyl)methoxy-phenylmethyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one
SMILES:
COc1ccc(C(OC(c2ccccc2)C2CC(O)CN2C(=O)CCCCCN)c2ccc(OC)cc2)cc1Molecular Processing
Molecular formula
C32H40N2O5
Molecular weight
532.68
Exact mass
532.2937
XLogP
5.03
TPSA
94.25
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.406
Molar refractivity
151.75
Supplementary Information
InChIKey: DHBPSJMWZZELFG-UHFFFAOYSA-N
Synonyms
DHBPSJMWZZELFG-UHFFFAOYSA-N6-Amino-1-{2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-pyrrolidin-1-yl}-hexan-1-one
Involved in 22 reactions→