CC(C)(C)c1ccc(-c2scc(C=NNC(=S)Nc3ccc(C(=O)O)cc3)c2O)cc1
SMILES: CC(C)(C)c1ccc(-c2scc(C=NNC(=S)Nc3ccc(C(=O)O)cc3)c2O)cc1

Molecular Processing

Molecular formula
C23H23N3O3S2
Molecular weight
453.59
Exact mass
453.1181
XLogP
5.44
TPSA
93.95
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
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
0.174
Molar refractivity
130.47

Supplementary Information

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