Name: 4,4-dimethyl-1-[2-(methylthio)benzyl]-2-(adamantan-2-yl)-1,2-diazetidin-3-one
SMILES:
CSc1ccccc1CN1N(C2C3CC4CC(C3)CC2C4)C(=O)C1(C)CMolecular Processing
Molecular formula
C22H30N2OS
Molecular weight
370.56
Exact mass
370.2079
XLogP
4.57
TPSA
23.55
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
6
Aromatic rings
1
Saturated rings
5
Aliphatic rings
5
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
105.52
Supplementary Information
Details werden geladen…
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