名称: ethyl 4-[[4-(4-methylphenyl)-2,2-dimethyl-(2H)-thiochromen-6-yl]-ethynyl]-2-fluorobenzoate
SMILES:
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(c2ccc(C)cc2)=CC(C)(C)S3)cc1FMolecular Processing
Molecular formula
C29H25FO2S
Molecular weight
456.58
Exact mass
456.1559
XLogP
7.03
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
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
0.207
Molar refractivity
132.97
Supplementary Information
詳細情報を取得中…
1 件の反応に参加→