CSC1=NC(=O)C2=C3N1CC=C(N3N=C2)C4=CC(=CC=C4)C(F)(F)F
Name: 7-methylsulfanyl-11-[3-(trifluoromethyl)phenyl]-1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraen-5-one
SMILES: CSC1=NC(=O)C2=C3N1CC=C(N3N=C2)C4=CC(=CC=C4)C(F)(F)F

Molecular Processing

Molecular formula
C16H11F3N4OS
Molecular weight
364.35
Exact mass
364.0606
XLogP
3.24
TPSA
52.71
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
88.39

Supplementary Information

InChIKey: NKSUHGWUDGKGKC-UHFFFAOYSA-N
Synonyms
5-(Methylthio)-8-(3-(trifluoromethyl)phenyl)-3H,6H-1,4,5a,8a-tetraazaacenaphthylen-3-one5-(Methylthio)-8-[3-(trifluoromethyl)phenyl]-3H,6H-1,4,5a,8a-tetraazaacenaphthylen-3-oneSCHEMBL8339617
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Involved in 9 reactions→

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