Name: Name:N-(1-{1-[(1,3-benzothiazol-2-yl)methyl]piperidin-4-yl}-1H-pyrazol-5-yl)-2-phenylacetamide
Brand: Angene
SKU: AG01BTWT
Rating: 90 (10 reviews)

N-(1-{1-[(1,3-benzothiazol-2-yl)methyl]piperidin-4-yl}-1H-pyrazol-5-yl)-2-phenylacetamide

CAS No.:

1185365-02-9

Catalog Number:

AG01BTWT

Molecular Formula:

C24H25N5OS

Molecular Weight:

431.5532

Catalog Number:

AG01BTWT

Chemical Name:

N-(1-{1-[(1,3-benzothiazol-2-yl)methyl]piperidin-4-yl}-1H-pyrazol-5-yl)-2-phenylacetamide

CAS Number:

1185365-02-9

Molecular Formula:

C24H25N5OS

Molecular Weight:

431.5532

MDL Number:

MFCD12977693

IUPAC Name:

N-[2-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

InChI:

InChI=1S/C24H25N5OS/c30-23(16-18-6-2-1-3-7-18)27-22-10-13-25-29(22)19-11-14-28(15-12-19)17-24-26-20-8-4-5-9-21(20)31-24/h1-10,13,19H,11-12,14-17H2,(H,27,30)

InChI Key:

PODYAALLOXHJLJ-UHFFFAOYSA-N

SMILES:

O=C(Nc1ccnn1C1CCN(CC1)Cc1nc2c(s1)cccc2)Cc1ccccc1

Complexity:

593

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

431.178g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

431.558g/mol

Monoisotopic Mass:

431.178g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8