Name: 2-methoxymethyl-benzothiazole-5-carboxylic acid-N-phenyl-N-(2-ethoxycarbonylethyl)-amide
SMILES:
CCOC(=O)CCN(C(=O)c1ccc2sc(COC)nc2c1)c1ccccc1Molecular Processing
Molecular formula
C21H22N2O4S
Molecular weight
398.48
Exact mass
398.13
XLogP
4.04
TPSA
68.73
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
109.7
Supplementary Information
Details werden geladen…
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