名称: 7-hydroxy-3-indol-1-ylmethyl-4-phenyl-isothiazolo[4,5-c]pyridine-6-carboxylic acid butyl ester
SMILES:
CCCCOC(=O)c1nc(-c2ccccc2)c2c(Cn3ccc4ccccc43)nsc2c1OMolecular Processing
Molecular formula
C26H23N3O3S
Molecular weight
457.56
Exact mass
457.146
XLogP
6.02
TPSA
77.24
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.192
Molar refractivity
130.75
Supplementary Information
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