이름: ethyl 7-(2-methylphenyl)-5-methylamino-1-oxo-1,3,4,7-tetrahydrobenzo[c]furan-6-carboxylate
SMILES:
CCOC(=O)C1=C(NC)CC2=C(C(=O)OC2)C1c1ccccc1CMolecular Processing
Molecular formula
C19H21NO4
Molecular weight
327.38
Exact mass
327.1471
XLogP
2.37
TPSA
64.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
89.24
Supplementary Information
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