C=C(C)CC(O)c1ccc(NC(=O)c2ccccn2)cc1F
Name: N-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide
SMILES: C=C(C)CC(O)c1ccc(NC(=O)c2ccccn2)cc1F

Molecular Processing

Molecular formula
C17H17FN2O2
Molecular weight
300.33
Exact mass
300.1274
XLogP
3.47
TPSA
62.22
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
82.98

Supplementary Information

InChIKey: DELPKPSNJXHGCL-UHFFFAOYSA-N
Synonyme
SCHEMBL2645947DELPKPSNJXHGCL-UHFFFAOYSA-NN-(3-fluoro-4-(1-hydroxy-3-methyl-3-buten-1-yl)phenyl)pyridine-2-carboxamide
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