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1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one

Catalog No: FT-0754953

CAS No: 95847-70-4

Chemical Name: 1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one
Molecular Formula: C19H23N5O3S
Molecular Weight: 401.5
InChI Key: TZJUVVIWVWFLCD-UHFFFAOYSA-N
InChI: InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Base Information
Chemical Information

Melting_Point:	N/A
FW:	401.48300
CAS:	95847-70-4
MF:	C19H23N5O3S
Flash_Point:	334.7ºC
Product_Name:	1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one
Bolling_Point:	629.8ºC at 760mmHg
Density:	1.345g/cm3

FW:	401.48300
Refractive_Index:	1.622
MF:	C19H23N5O3S
Exact_Mass:	401.15200
LogP:	2.24510
Bolling_Point:	629.8ºC at 760mmHg
Density:	1.345g/cm3
PSA:	95.09000
Computational_Chemistry:	['1. XlogP :15 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 951 ', '7. Heavy Atom Count :28 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :638 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Flash_Point:	334.7ºC