SMILES:
OC1(C#Cc2ccc(N3CC4OCCOC4C3)nc2Cc2ccccc2)CN2CCC1CC2Molecular Processing
Molecular formula
C27H31N3O3
Molecular weight
445.56
Exact mass
445.2365
XLogP
2.08
TPSA
58.06
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
33
Rings
7
Aromatic rings
2
Saturated rings
5
Aliphatic rings
5
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
126.17
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→