이름: 2-[benzyl-(5,6-diethyl-indan-2-yl)-amino]-1-(4-benzyloxy-3-nitro-phenyl)-ethanone
SMILES:
CCc1cc2c(cc1CC)CC(N(CC(=O)c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1)Cc1ccccc1)C2Molecular Processing
Molecular formula
C35H36N2O4
Molecular weight
548.68
Exact mass
548.2675
XLogP
7.15
TPSA
72.68
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
161.45
Supplementary Information
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