COc1ccc(C(F)(F)F)cc1C1=CCN(C(=O)OC(C)(C)C)CC1
Name: tert-Butyl 4-[2-methoxy-5-(trifluoromethyl)phenyl]-3,6-dihydropyridine-1(2H)-carboxylate
SMILES: COc1ccc(C(F)(F)F)cc1C1=CCN(C(=O)OC(C)(C)C)CC1

Molecular Processing

Molecular formula
C18H22F3NO3
Molecular weight
357.37
Exact mass
357.1552
XLogP
4.74
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
88.4

Supplementary Information

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