O=C(c1cc(Cl)ncn1)N(Cc1ccccc1)CC(F)(F)F
이름: 6-chloropyrimidine-4-carboxylic acid-benzyl-(2,2,2-trifluorethyl)-amide
SMILES: O=C(c1cc(Cl)ncn1)N(Cc1ccccc1)CC(F)(F)F

Molecular Processing

Molecular formula
C14H11ClF3N3O
Molecular weight
329.71
Exact mass
329.0543
XLogP
3.33
TPSA
46.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
74.28

Supplementary Information

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