Name: 2-tert-butoxy-2-(1-(4-chlorophenyl)-7-(cyclopropylethynyl)-3-methylnaphthalen-2-yl)acetic acid
SMILES:
Cc1cc2ccc(C#CC3CC3)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)OMolecular Processing
Molecular formula
C28H27ClO3
Molecular weight
446.97
Exact mass
446.1649
XLogP
7.17
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
129.95
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→