Name: neopentylamine
SMILES:
Cc1ccccc1N1CCN(CC(O)c2ccc(O)c(C(=O)NCC(C)(C)C)c2)CC1.ClMolecular Processing
Molecular formula
C25H36ClN3O3
Molecular weight
462.03
Exact mass
461.2445
XLogP
3.75
TPSA
76.04
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.48
Molar refractivity
131.93
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→