Endovion
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]urea
Molecular Identity
Endovion
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]urea
PubChem CID: 10005966
2D Structure
Properties
C16H9BrF6N6O
Molecular Formula
495.18
Molecular Weight
g/mol
493.9925
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
95.6
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
10
H-Bond Acceptors
586
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C(C=C1Br)C2=NNN=N2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)FIsomeric SMILES
SMILES: C1=CC(=C(C=C1Br)C2=NNN=N2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)FSynonyms(20)
EndovionEmidurdarEndovion (NS 3728)1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(2H-tetrazol-5-yl)phenyl)urea1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]ureaSCO101SCO-101MFCD28147607emidurdar [INN]Emidurdar [WHO-DD]C16H9BrF6N6OEndovion, 10 mM in DMSOGTPL4273orb1308335SCHEMBL1463101
Data from PubChem (NCBI)
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