Name: N,N'-diCBz-S-methylisothiourea
SMILES:
CSC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1Molecular Processing
Molecular formula
C18H18N2O4S
Molecular weight
358.42
Exact mass
358.0987
XLogP
3.97
TPSA
76.99
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
97.34
Supplementary Information
Details werden geladen…
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