Название: 4-[4-(2-Chloro-phenoxy)-butyrylamino]-thiophene-3-carboxylic acid methyl ester
SMILES:
COC(=O)c1cscc1NC(=O)CCCOc1ccccc1ClMolecular Processing
Molecular formula
C16H16ClNO4S
Molecular weight
353.83
Exact mass
353.0489
XLogP
3.99
TPSA
64.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
90.47
Supplementary Information
Загрузка подробностей…
Участвует в 4 реакциях→