Name: tert-butyl 4-(4-methoxyphenylcarbamoyl)-3-((pyridin-3-ylamino)methyl)piperazine-1-carboxylate TFA salt
SMILES:
COc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2CNc2cccnc2)cc1.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C25H32F3N5O6
Molecular weight
555.55
Exact mass
555.2305
XLogP
4.29
TPSA
133.33
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
39
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
2
Fraction Csp3
0.44
Molar refractivity
136.73
Supplementary Information
Details werden geladen…
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