Nombre: [2-[[(1-acetylpiperidin-4-yl)-cyclohexylcarbamoyl]amino]-1,3-thiazol-5-yl] thiocyanate
SMILES:
CC(=O)N1CCC(CC1)N(C2CCCCC2)C(=O)NC3=NC=C(S3)SC#NMolecular Processing
Molecular formula
C18H25N5O2S2
Molecular weight
407.56
Exact mass
407.145
XLogP
3.89
TPSA
89.33
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
106.59
Supplementary Information
InChIKey: XEVXIYGFHPWUAU-UHFFFAOYSA-N
Sinónimos
SCHEMBL999121XEVXIYGFHPWUAU-UHFFFAOYSA-N1-(1-acetyl-piperidin-4-yl)-1-cyclohexyl-3-(5-thiocyanato-thiazol-2-yl)-urea
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