Name: Name:1-{6-[(4-bromophenyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxylic acid
Brand: Angene
SKU: AG01BECX
Rating: 90 (10 reviews)

1-{6-[(4-bromophenyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxylic acid

CAS No.:

1112278-50-8

Catalog Number:

AG01BECX

Molecular Formula:

C16H16BrN3O2S

Molecular Weight:

394.2861

Catalog Number:

AG01BECX

Chemical Name:

1-{6-[(4-bromophenyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxylic acid

CAS Number:

1112278-50-8

Molecular Formula:

C16H16BrN3O2S

Molecular Weight:

394.2861

MDL Number:

MFCD26962777

IUPAC Name:

1-[6-(4-bromophenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxylic acid

InChI:

InChI=1S/C16H16BrN3O2S/c17-12-3-5-13(6-4-12)23-15-8-7-14(18-19-15)20-9-1-2-11(10-20)16(21)22/h3-8,11H,1-2,9-10H2,(H,21,22)

InChI Key:

PWEPZQIRRKDJDC-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCCN(C1)c1ccc(nn1)Sc1ccc(cc1)Br

Complexity:

407

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

393.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

394.287g/mol

Monoisotopic Mass:

393.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4