O=C1C=CN(c2ccc(N3C[C@H](C(=O)NCCF)OC3=O)cc2)CC1
SMILES: O=C1C=CN(c2ccc(N3C[C@H](C(=O)NCCF)OC3=O)cc2)CC1

Molecular Processing

Molecular formula
C17H18FN3O4
Molecular weight
347.35
Exact mass
347.1281
XLogP
1.39
TPSA
78.95
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
89.15

Supplementary Information

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