CC1=NC(=C(S1)C2=CC=C(C=C2)F)C(=O)N3CCN(CC3CC(=O)OCC(=O)C4=CC=C(C=C4)F)C(=O)OC(C)(C)C
Nombre: tert-butyl 4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]piperazine-1-carboxylate
SMILES: CC1=NC(=C(S1)C2=CC=C(C=C2)F)C(=O)N3CCN(CC3CC(=O)OCC(=O)C4=CC=C(C=C4)F)C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C30H31F2N3O6S
Molecular weight
599.66
Exact mass
599.1902
XLogP
5.27
TPSA
106.11
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
42
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
151.18

Supplementary Information

InChIKey: GWDQXOFBVIPHLH-UHFFFAOYSA-N
Sinónimos
SCHEMBL1777937GWDQXOFBVIPHLH-UHFFFAOYSA-N(RS)-4-{1-[5(4-Fluorophenyl)-2-methylthiazol4-yl]-methanoyl}-3-[2-(4-fluoro-phenyl)-2-oxo-ethoxycarbonylmethyl]-piperazine-1-carboxylic acid tert-butyl ester(RS)-4-{1-[5-(4-Fluorophenyl)-2-methylthiazol-4-yl]-methanoyl}-3-[2-(4-fluoro-phenyl)-2-oxo-ethoxycarbonylmethyl]-piperazine-1-carboxylic acid tert-butyl ester
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