tert-butyl-[[7-[4-(5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-yl)-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methoxy]-dimethylsilane

C34H46F3N3O4S2Si — CID 171575237

About tert-butyl-[[7-[4-(5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-yl)-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methoxy]-dimethylsilane

tert-butyl-[[7-[4-(5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-yl)-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methoxy]-dimethylsilane (PubChem CID 171575237) has the molecular formula C34H46F3N3O4S2Si and a molecular weight of 709.97 g/mol. Its IUPAC name is tert-butyl-[[7-[4-(5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-yl)-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[7-[4-(5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-yl)-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methoxy]-dimethylsilane
• PubChem CID: 171575237
• Molecular Formula: C34H46F3N3O4S2Si
• Molecular Weight: 709.97 g/mol
• Exact Mass: 709.27
• IUPAC Name: tert-butyl-[[7-[4-(5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-yl)-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methoxy]-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OCc1cc2nccc(-c3cc(C(F)(F)F)cc4c3N(C3CN(S(=O)(=O)C(C)(C)C)C5(CCC5)C3)CCO4)c2s1
• InChI: InChI=1S/C34H46F3N3O4S2Si/c1-31(2,3)46(41,42)40-20-23(19-33(40)11-9-12-33)39-14-15-43-28-17-22(34(35,36)37)16-26(29(28)39)25-10-13-38-27-18-24(45-30(25)27)21-44-47(7,8)32(4,5)6/h10,13,16-18,23H,9,11-12,14-15,19-21H2,1-8H3
• InChIKey: DRRLTDLDMUOGKD-UHFFFAOYSA-N
• XLogP: 8.83
• TPSA: 71.97 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.97
LogP ≤ 5	8.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[7-[4-(5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-yl)-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[7-[4-(5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-yl)-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methoxy]-dimethylsilane (CID 171575237) is tert-butyl-[[7-[4-(5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-yl)-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[7-[4-(5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-yl)-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[7-[4-(5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-yl)-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cc2nccc(-c3cc(C(F)(F)F)cc4c3N(C3CN(S(=O)(=O)C(C)(C)C)C5(CCC5)C3)CCO4)c2s1.

What is the InChIKey of tert-butyl-[[7-[4-(5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-yl)-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methoxy]-dimethylsilane?

The InChIKey is DRRLTDLDMUOGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46F3N3O4S2Si/c1-31(2,3)46(41,42)40-20-23(19-33(40)11-9-12-33)39-14-15-43-28-17-22(34(35,36)37)16-26(29(28)39)25-10-13-38-27-18-24(45-30(25)27)21-44-47(7,8)32(4,5)6/h10,13,16-18,23H,9,11-12,14-15,19-21H2,1-8H3.

What are the key properties of tert-butyl-[[7-[4-(5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-yl)-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methoxy]-dimethylsilane?

tert-butyl-[[7-[4-(5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-yl)-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methoxy]-dimethylsilane has a molecular weight of 709.97 g/mol, XLogP of 8.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[7-[4-(5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-yl)-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 171575237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).