potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate

C32H41ClKN3O8S — CID 23684414

About potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate

potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate (PubChem CID 23684414) has the molecular formula C32H41ClKN3O8S and a molecular weight of 702.31 g/mol. Its IUPAC name is potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate.

Molecular Properties

• Compound Name: potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate
• PubChem CID: 23684414
• Molecular Formula: C32H41ClKN3O8S
• Molecular Weight: 702.31 g/mol
• Exact Mass: 701.19
• IUPAC Name: potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate
• SMILES: C1CC2CC2C1.CCN(C(=O)c1cc2cc(C)cc(C)c2n1CC(=O)[O-])c1nc(-c2cc(OC)c(Cl)cc2OC)cs1.O.O.O.[K+]
• InChI: InChI=1S/C26H26ClN3O5S.C6H10.K.3H2O/c1-6-29(26-28-19(13-36-26)17-10-22(35-5)18(27)11-21(17)34-4)25(33)20-9-16-8-14(2)7-15(3)24(16)30(20)12-23(31)32;1-2-5-4-6(5)3-1;;;;/h7-11,13H,6,12H2,1-5H3,(H,31,32);5-6H,1-4H2;;3*1H2/q;;+1;;;/p-1
• InChIKey: LYGGPSFIQPMWCW-UHFFFAOYSA-M
• XLogP: 0.81
• TPSA: 191.22 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	702.31
LogP ≤ 5	0.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate?

The IUPAC name of potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate (CID 23684414) is potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate.

What is the SMILES notation for potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate?

The canonical SMILES for potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate is C1CC2CC2C1.CCN(C(=O)c1cc2cc(C)cc(C)c2n1CC(=O)[O-])c1nc(-c2cc(OC)c(Cl)cc2OC)cs1.O.O.O.[K+].

What is the InChIKey of potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate?

The InChIKey is LYGGPSFIQPMWCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H26ClN3O5S.C6H10.K.3H2O/c1-6-29(26-28-19(13-36-26)17-10-22(35-5)18(27)11-21(17)34-4)25(33)20-9-16-8-14(2)7-15(3)24(16)30(20)12-23(31)32;1-2-5-4-6(5)3-1;;;;/h7-11,13H,6,12H2,1-5H3,(H,31,32);5-6H,1-4H2;;3*1H2/q;;+1;;;/p-1.

What are the key properties of potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate?

potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate has a molecular weight of 702.31 g/mol, XLogP of 0.81, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate is sourced from PubChem (CID 23684414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).