이름: 2-(3-benzoylamino-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(NC(=O)c3ccccc3)c1)N2Molecular Processing
Molecular formula
C27H28N2O3
Molecular weight
428.53
Exact mass
428.21
XLogP
5.85
TPSA
67.43
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
127.08
Supplementary Information
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