Name: Name:4-[3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Brand: Angene
SKU: AG01A199
Rating: 90 (10 reviews)

4-[3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol

CAS No.:

688792-19-0

Catalog Number:

AG01A199

Molecular Formula:

C16H11BrN4O2S

Molecular Weight:

403.2531

Catalog Number:

AG01A199

Chemical Name:

4-[3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol

CAS Number:

688792-19-0

Molecular Formula:

C16H11BrN4O2S

Molecular Weight:

403.2531

MDL Number:

MFCD15083676

IUPAC Name:

4-[3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol

InChI:

InChI=1S/C16H11BrN4O2S/c17-11-4-1-9(2-5-11)15-18-19-16-21(15)20-12(8-24-16)10-3-6-13(22)14(23)7-10/h1-7,22-23H,8H2

InChI Key:

VPLDNUZIEJYAHM-UHFFFAOYSA-N

SMILES:

Brc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O

Complexity:

489

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

401.979g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

403.254g/mol

Monoisotopic Mass:

401.979g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

109A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6