MK-2894
Grundinformationen
- CAS
1006036-87-8- Standard-SMILES
Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1- InChIKey
QJZQFVRFJCGDKF-UHFFFAOYSA-N- Summenformel
- C25H22F3NO3S
- Durchschnittliche Molmasse
- 473,5 g/mol
- Monoisotopische Masse
- 473,12724922
Namen und Bezeichner
- Bevorzugter Name
- MK-2894
- IUPAC
- 4-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoic acid
- Englischer Name
- 4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoic acid
- Summenformel
- C25H22F3NO3S
- Molmasse
- 473.51
Namen und Synonyme
MK-28944-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoic acidMK 2894MK2894DTXSID606480634-{1-[(2,5-Dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}thiophene-3-carbonyl)amino]cyclopropyl}benzoic acid4-(1-((2,5-Dimethyl-4-((4-(trifluoromethyl)phenyl)methyl)thiophene-3-carbonyl)amino)cyclopropyl)benzoic acidRefChem:159193DTXCID205988131006036-87-8CID 24952929CHEMBL597997
Weitere Namen anzeigen
Benzoic acid, 4-[1-[[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]-
4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoic acid4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic acidC25H22F3NO3S4-(1-(((2,5-Dimethyl-4-((4-(trifluoromethyl)phenyl)methyl)-3-thienyl)carbonyl)amino)cyclopropyl)benzoic acidCS-0679GTPL4041orb1709116SCHEMBL2351863
Datenbank-Bezeichner
- CAS
1006036-87-8- PubChem CID
- 24952929
- DTXSID
DTXSID60648063- ChEMBL
CHEMBL597997- Nikkaji
- J2.851.003I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,9
- Polarare Oberfläche (TPSA)
- 94,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 725
Physikochemische Eigenschaften
- Schmelzpunkt
- 254 · 254-256℃
- Siedepunkt
- 569.4 · 569.4±50.0 °C(Predicted)
- Dichte
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- Soluble in DMSO
- Aggregatzustand
- Powder
- pka
- 4.35 · 4.35±0.10(Predicted)
- Farbe
- White to light brown
Chemie und Industrie
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