Molecular Identity
Letrazuril
2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-fluorophenyl)acetonitrile
PubChem CID: 59745
2D Structure
Properties
C17H9Cl2FN4O2
Molecular Formula
391.20
Molecular Weight
g/mol
390.0087
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
85.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
632
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)FIsomeric SMILES
SMILES: C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)FSynonyms(20)
LETRAZURIL103337-74-2LetrazuriloLetrazurilumU8736VCB22RefChem:1529572-(2,6-dichloro-4-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl)phenyl)-2-(4-fluorophenyl)acetonitrileLetrazuril [INN]2-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl)-2-(4-fluorophenyl)acetonitrile2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-fluorophenyl)acetonitrileMFCD00867212C17H9Cl2FN4O2UNII-U8736VCB22Letrazurilum [INN-Latin]Letrazurilo [INN-Spanish]
Data from PubChem (NCBI)
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Trials and conditions connected to Letrazuril
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