| Identification | Back Directory | [Name]
Benzoic acid, 3-[[2,6-dichloro-7-fluoro-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-yl]thio]-2-fluoro- | [CAS]
1782070-21-6 | [Synonyms]
cudetaxestat
Cudetaxestat (Synonyms: BLD-0409)
Benzoic acid, 3-[[2,6-dichloro-7-fluoro-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-yl]thio]-2-fluoro- | [Molecular Formula]
C21H15Cl2F2N3O2S | [MOL File]
1782070-21-6.mol | [Molecular Weight]
482.33 |
| Chemical Properties | Back Directory | [Boiling point ]
537.4±50.0 °C(Predicted) | [density ]
1.52±0.1 g/cm3(Predicted) | [solubility ]
DMSO: Soluble | [form ]
Solid | [pka]
2.90±0.10(Predicted) | [color ]
White to off-white | [InChI]
InChI=1S/C21H15Cl2F2N3O2S/c1-2-8-27-10-11(9-26-27)28-18-13(6-7-14(22)17(18)25)19(20(28)23)31-15-5-3-4-12(16(15)24)21(29)30/h3-7,9-10H,2,8H2,1H3,(H,29,30) | [InChIKey]
NMDFAQXLJQRHMS-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=CC(SC2C3=C(N(C4=CN(CCC)N=C4)C=2Cl)C(F)=C(Cl)C=C3)=C1F |
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