名称: 5-[2-[2-benzyloxy-4-[butyl(4-hydroxybutyl)amino]phenyl]vinyl]thiophene-2-carboaldehyde
SMILES:
CCCCN(CCCCO)c1ccc(C=Cc2ccc(C=O)s2)c(OCc2ccccc2)c1Molecular Processing
Molecular formula
C28H33NO3S
Molecular weight
463.64
Exact mass
463.2181
XLogP
6.69
TPSA
49.77
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
14
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
139.29
Supplementary Information
詳細情報を取得中…
4 件の反応に参加→