Name: Name:1-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINE
Brand: Angene
SKU: AG00BCO1
Rating: 90 (10 reviews)

1-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINE

CAS No.:

303150-21-2

Catalog Number:

AG00BCO1

Molecular Formula:

C14H13Cl2F3N4S

Molecular Weight:

397.2460

Catalog Number:

AG00BCO1

Chemical Name:

1-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINE

CAS Number:

303150-21-2

Molecular Formula:

C14H13Cl2F3N4S

Molecular Weight:

397.2460

MDL Number:

MFCD00172020

IUPAC Name:

4-(chloromethyl)-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1,3-thiazole

InChI:

InChI=1S/C14H13Cl2F3N4S/c15-6-10-8-24-13(21-10)23-3-1-22(2-4-23)12-11(16)5-9(7-20-12)14(17,18)19/h5,7-8H,1-4,6H2

InChI Key:

GKWGVZNBWRMUBE-UHFFFAOYSA-N

SMILES:

ClCc1csc(n1)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F

Complexity:

423

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

396.019g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

397.241g/mol

Monoisotopic Mass:

396.019g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2