Name: tert-butyl 4-(2-methylbenzo[d]thiazol-5-ylcarbamoyl)-3-((pyridin-3-yloxy)methyl)piperazine-1-carboxylate di-TFA salt
SMILES:
Cc1nc2cc(NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3COc3cccnc3)ccc2s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C28H31F6N5O8S
Molecular weight
711.64
Exact mass
711.1798
XLogP
5.8
TPSA
171.49
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
48
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
20
Covalent units
3
Fraction Csp3
0.429
Molar refractivity
158.79
Supplementary Information
Details werden geladen…
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