CC1=CC=CC=C1C(=O)NC(CC(C2=C(C(=O)C=CO2)OCC3=CC=CC=C3)(C4=C(C(=O)C=CO4)OCC5=CC=CC=C5)NC(=O)O)C6=C(C(=O)C=CO6)OCC7=CC=CC=C7
Name: [3-[(2-methylbenzoyl)amino]-1,1,3-tris(4-oxo-3-phenylmethoxypyran-2-yl)propyl]carbamic acid
SMILES: CC1=CC=CC=C1C(=O)NC(CC(C2=C(C(=O)C=CO2)OCC3=CC=CC=C3)(C4=C(C(=O)C=CO4)OCC5=CC=CC=C5)NC(=O)O)C6=C(C(=O)C=CO6)OCC7=CC=CC=C7

Molecular Processing

Molecular formula
C48H40N2O12
Molecular weight
836.85
Exact mass
836.2581
XLogP
7.66
TPSA
196.75
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
17
Heavy atoms
62
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.146
Molar refractivity
225.2

Supplementary Information

InChIKey: MFSFKZKRBVKVLC-UHFFFAOYSA-N
Synonyme
MFSFKZKRBVKVLC-UHFFFAOYSA-NN-(Tris(3-benzyloxy-4-oxo-4H-pyran-2-yl)carboxyaminopropyl)methyl benzamide
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