Название: tert-butyl N-[4-(carbamothioylamino)cyclohexyl]carbamate
SMILES:
CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(N)=S)CC1Molecular Processing
Molecular formula
C12H23N3O2S
Molecular weight
273.4
Exact mass
273.1511
XLogP
1.66
TPSA
76.38
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
75.33
Supplementary Information
InChIKey: UCOPWDGVZSDIGD-UHFFFAOYSA-N
Синонимы
SCHEMBL4267806UCOPWDGVZSDIGD-KYZUINATSA-N(trans-4-Thioureido-cyclohexyl)-carbamic acid tert-butyl ester
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