SB-236057
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Grundinformationen
- CAS
180083-49-2- Standard-SMILES
CCN1CCC2(CC1)COc1cc3c(cc12)N(C(=O)c1ccc(-c2ccc(-c4nnc(C)o4)cc2C)cc1)CC3- InChIKey
WXAKEEQOWUHGCI-UHFFFAOYSA-N- Summenformel
- C33H34N4O3
- Durchschnittliche Molmasse
- 534,6 g/mol
- Monoisotopische Masse
- 534,26309095
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- SB-236057
- IUPAC
- (1'-ethylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone
Namen und Synonyme
SB236057SB-2360576W25PBE4MDSB 236057(1'-Ethyl-6,7-dihydro-5H-spiro(furo(2,3-f)indole-3,4'-piperidin)-5-yl)(2'-methyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-yl)methanoneDTXSID0047321(1'-ethyl-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidin]-5-yl)[2'-methyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-yl]methanone1'-ethyl-7-((4-(2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl)phenyl)carbonyl)-2,5,6,7-tetrahydrospiro(furo(2,3-f)indole-1,4'-piperidine)1'-ethyl-7-({4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl}carbonyl)-2,5,6,7-tetrahydrospiro[furo[2,3-f]indole-1,4'-piperidine]RefChem:931360DTXCID8027321180083-49-2
Weitere Namen anzeigen
(1'-ethylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanoneMethanone, (1'-ethyl-2,5,6,7-tetrahydrospiro[3H-furo[2,3-f]indole-3,4'-piperidin]-5-yl)[2'-methyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-yl]-WXAKEEQOWUHGCI-UHFFFAOYSA-NMethanone, (1'-ethyl-2,5,6,7-tetrahydrospiro(3H-furo(2,3-f)indole-3,4'-piperidin)-5-yl)(2'-methyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)(1,1'-biphenyl)-4-yl)-Spiro(2H-furo(2,3-f)indole-3(5H),4'-piperidine), 1'-ethyl-6,7-dihydro-5-((2'-methyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)(1,1'-biphenyl)-4-yl)carbonyl)-Spiro[2H-furo[2,3-f]indole-3(5H),4'-piperidine], 1'-ethyl-6,7-dihydro-5-[[2'-methyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-yl]carbonyl]-UNII-6W25PBE4MDGTPL3231
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 5,6
- Polarare Oberfläche (TPSA)
- 71,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 40
- Formalladung
- 0
- Komplexität
- 900
Experimentelle und physikochemische Eigenschaften
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section229.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5047320]
Chemie und Industrie
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