Название: [4-(5-(cyclopropyl-methyl-amino)-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-ylethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester
SMILES:
CCOC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3N(C)C2CC2)cc1FMolecular Processing
Molecular formula
C28H32FNO2
Molecular weight
433.57
Exact mass
433.2417
XLogP
5.54
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
124.95
Supplementary Information
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