Name: Name:1-(6-{[4-(propan-2-yl)phenyl]sulfanyl}pyridazin-3-yl)piperidine-4-carboxylic acid
Brand: Angene
SKU: AG01BECY
Rating: 90 (10 reviews)

1-(6-{[4-(propan-2-yl)phenyl]sulfanyl}pyridazin-3-yl)piperidine-4-carboxylic acid

CAS No.:

1113110-31-8

Catalog Number:

AG01BECY

Molecular Formula:

C19H23N3O2S

Molecular Weight:

357.4698

Catalog Number:

AG01BECY

Chemical Name:

1-(6-{[4-(propan-2-yl)phenyl]sulfanyl}pyridazin-3-yl)piperidine-4-carboxylic acid

CAS Number:

1113110-31-8

Molecular Formula:

C19H23N3O2S

Molecular Weight:

357.4698

MDL Number:

MFCD26962778

IUPAC Name:

1-[6-(4-propan-2-ylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylic acid

InChI:

InChI=1S/C19H23N3O2S/c1-13(2)14-3-5-16(6-4-14)25-18-8-7-17(20-21-18)22-11-9-15(10-12-22)19(23)24/h3-8,13,15H,9-12H2,1-2H3,(H,23,24)

InChI Key:

CSNMHWWILQSZSL-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)Sc1ccc(nn1)N1CCC(CC1)C(=O)O)C

Complexity:

432

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

357.151g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

357.472g/mol

Monoisotopic Mass:

357.151g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9