Name: 4′-fluoro-biphenyl-4-carboxylic acid [2-(methyl-pyrrolidin-3-ylmethyl-amino)-benzothiazol-6-yl]-amide
SMILES:
CN(CC1CCNC1)c1nc2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2s1Molecular Processing
Molecular formula
C26H25FN4OS
Molecular weight
460.58
Exact mass
460.1733
XLogP
5.4
TPSA
57.26
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
133.66
Supplementary Information
Details werden geladen…
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