Название: [2-(dicyclohexylcarbamoylamino)-4-methyl-1,3-thiazol-5-yl] thiocyanate
SMILES:
CC1=C(SC(=N1)NC(=O)N(C2CCCCC2)C3CCCCC3)SC#NMolecular Processing
Molecular formula
C18H26N4OS2
Molecular weight
378.57
Exact mass
378.1548
XLogP
5.52
TPSA
69.02
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.722
Molar refractivity
102.92
Supplementary Information
InChIKey: PAUCNVCUGAXMCE-UHFFFAOYSA-N
Синонимы
SCHEMBL1000774PAUCNVCUGAXMCE-UHFFFAOYSA-N1,1-dicyclohexyl-3-(4-methyl-5-thiocyanato-thiazol-2-yl)-urea
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