名称: [4-(2-cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-ylethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester
SMILES:
CCOC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CN(C2CC2)C3)cc1FMolecular Processing
Molecular formula
C26H28FNO2
Molecular weight
405.51
Exact mass
405.2104
XLogP
4.59
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
115.62
Supplementary Information
詳細情報を取得中…
27 件の反応に参加→