이름: [4-(2-Allyloxy-4-methyl-phenyl)-2-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-b]pyridin-3-yl]-oxo-acetic acid ethyl ester hydrochloride
SMILES:
C=CCOc1cc(C)ccc1-c1c(C(=O)C(=O)OCC)c(C)nc2sc3c(c12)CCCC3.ClMolecular Processing
Molecular formula
C26H28ClNO4S
Molecular weight
486.03
Exact mass
485.1428
XLogP
6.19
TPSA
65.49
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.346
Molar refractivity
135.08
Supplementary Information
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