Name: 4′-{[1-(4-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile
SMILES:
CCCc1nc(C)n(-c2ccc3c(c2)C(O)CC(C)(C)O3)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1Molecular Processing
Molecular formula
C33H33N3O3
Molecular weight
519.65
Exact mass
519.2522
XLogP
6.22
TPSA
88.14
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.303
Molar refractivity
152.25
Supplementary Information
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Involved in 9 reactions→