About ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-[1-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]piperidin-4-yl]indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-[1-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]piperidin-4-yl]indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 134399614) has the molecular formula C41H47ClF3N5O3S
and a molecular weight of 782.37 g/mol. Its IUPAC name is ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-[1-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]piperidin-4-yl]indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.
Analyze ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-[1-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]piperidin-4-yl]indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate with MolForge
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Frequently Asked Questions
What is the IUPAC name of ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-[1-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]piperidin-4-yl]indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-[1-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]piperidin-4-yl]indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 134399614) is ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-[1-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]piperidin-4-yl]indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-[1-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]piperidin-4-yl]indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-[1-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]piperidin-4-yl]indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)c(C3CCN(C5CN(C(C)C(F)(F)F)C5)CC3)nn4C)sc2c1-c1ccc(Cl)cc1.
What is the InChIKey of ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-[1-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]piperidin-4-yl]indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is SRZDKWAPEMACTL-OJZDPPLVSA-N. The full InChI is InChI=1S/C41H47ClF3N5O3S/c1-8-52-39(51)36(53-40(4,5)6)33-23(2)19-31-37(34(33)25-9-12-28(42)13-10-25)54-38(46-31)27-11-14-32-30(20-27)35(47-48(32)7)26-15-17-49(18-16-26)29-21-50(22-29)24(3)41(43,44)45/h9-14,19-20,24,26,29,36H,8,15-18,21-22H2,1-7H3/t24?,36-/m0/s1.
What are the key properties of ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-[1-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]piperidin-4-yl]indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-[1-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]piperidin-4-yl]indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 782.37 g/mol, XLogP of 9.71, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-[1-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]piperidin-4-yl]indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 134399614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).