Name: ethyl 2-[1-[2-butoxy-3′-(3-heptyl-1-methylureido)biphenyl-4-yl]meth-(E)-ylidene]butyrate
SMILES:
CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(/C=C(\CC)C(=O)OCC)cc2OCCCC)c1Molecular Processing
Molecular formula
C32H46N2O4
Molecular weight
522.73
Exact mass
522.3458
XLogP
8.01
TPSA
67.87
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
16
Heavy atoms
38
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
157.74
Supplementary Information
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