Nom: (2R)-2-(cyclohexylmethyl)-4-oxo-4-thiomorpholin-4-yl-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide
SMILES:
CC(CNC1=CC=C(C=C1)OC(F)(F)F)NC(=O)C(CC2CCCCC2)CC(=O)N3CCSCC3Molecular Processing
Molecular formula
C25H36F3N3O3S
Molecular weight
515.64
Exact mass
515.2429
XLogP
5.05
TPSA
70.67
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
35
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.68
Molar refractivity
132.42
Supplementary Information
InChIKey: BLPAEBPSYLTNGB-AZUAARDMSA-N
Synonymes
2-(r)-cyclohexylmethyl-n-[1-(s)-methyl-2-(4-trifluoromethoxy-phenylamino)-ethyl]-4-oxo-4-thiomorpholin-4-yl-butyramideSCHEMBL3007162
Impliqué dans 3 réactions→