Name: 1,1-dimethylethyl 4-[5-(2-chloro-4-pyrimidinyl)-4-(2-fluoro-3-{[(2-propen-1-yloxy)carbonyl]amino}phenyl)-1,3-thiazol-2-yl]-4-methyl-1-piperidinecarboxylate
SMILES:
C=CCOC(=O)Nc1cccc(-c2nc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)sc2-c2ccnc(Cl)n2)c1FMolecular Processing
Molecular formula
C28H31ClFN5O4S
Molecular weight
588.11
Exact mass
587.1769
XLogP
7.08
TPSA
106.54
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
40
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
153.1
Supplementary Information
Details werden geladen…
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