이름: methyl 2-(4-(cyclohexanecarboxamido)phenyl)-3,3-dimethyl-1,2,3,4-tetrahydroquinoline-6-carboxylate
SMILES:
COC(=O)c1ccc2c(c1)CC(C)(C)C(c1ccc(NC(=O)C3CCCCC3)cc1)N2Molecular Processing
Molecular formula
C26H32N2O3
Molecular weight
420.55
Exact mass
420.2413
XLogP
5.73
TPSA
67.43
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
123.28
Supplementary Information
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