Name: ethyl 4[[(5,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)thiocarbonyl]amino]-benzoate
SMILES:
CCOC(=O)c1ccc(NC(=S)c2ccc3c(c2)C(c2ccc(C)cc2)=CCC3(C)C)cc1Molecular Processing
Molecular formula
C29H29NO2S
Molecular weight
455.62
Exact mass
455.1919
XLogP
7.07
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.241
Molar refractivity
140.06
Supplementary Information
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