CCn1c(-c2ccc(OCCNS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21
SMILES: CCn1c(-c2ccc(OCCNS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21

Molecular Processing

Molecular formula
C21H23N3O4S
Molecular weight
413.5
Exact mass
413.1409
XLogP
3.14
TPSA
93.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
112.66

Supplementary Information

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