Name: tert-butyl 4-(4-chlorophenyl)-3-methyl-5,6-dihydropyridine-1(2H)-carboxylate
SMILES:
CC1=C(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C17H22ClNO2
Molecular weight
307.82
Exact mass
307.1339
XLogP
4.75
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
86.47
Supplementary Information
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