Tetrahydrofluoroene 52
(9aS)-3-tert-butyl-9a-(2-phenoxyethyl)-9,10-dihydro-8H-indeno[2,1-e]benzotriazol-7-one
Molecular Identity
Tetrahydrofluoroene 52
(9aS)-3-tert-butyl-9a-(2-phenoxyethyl)-9,10-dihydro-8H-indeno[2,1-e]benzotriazol-7-one
PubChem CID: 118753642
2D Structure
Properties
C25H27N3O2
Molecular Formula
401.50
Molecular Weight
g/mol
401.2103
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
57
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
693
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)N1C2=C(C3=C(C=C2)C4=CC(=O)CCC4(C3)CCOC5=CC=CC=C5)N=N1Isomeric SMILES
SMILES: CC(C)(C)N1C2=C(C3=C(C=C2)C4=CC(=O)CC[C@]4(C3)CCOC5=CC=CC=C5)N=N1Synonyms(12)
Tetrahydrofluoroene 521398510-92-3MK-6913(9aS)-3-tert-butyl-9a-(2-phenoxyethyl)-9,10-dihydro-8H-indeno[2,1-e]benzotriazol-7-oneorb1708375CHEMBL3545274SCHEMBL29941300AKOS040740208DA-58440HY-100327CS-0018478T13136
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Tetrahydrofluoroene 52
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