이름: 4-Dimethylcarbamoylsulfanyl-7-phenoxy-isoquinoline-3-carboxylic acid butyl ester
SMILES:
CCCCOC(=O)c1ncc2cc(Oc3ccccc3)ccc2c1SC(=O)N(C)CMolecular Processing
Molecular formula
C23H24N2O4S
Molecular weight
424.52
Exact mass
424.1457
XLogP
5.76
TPSA
68.73
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
30
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
0.261
Molar refractivity
118.39
Supplementary Information
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