Name: Name:3-[(4-bromothiophen-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
Brand: Angene
SKU: AG01BAVF
Rating: 90 (10 reviews)

3-[(4-bromothiophen-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

CAS No.:

1292607-12-5

Catalog Number:

AG01BAVF

Molecular Formula:

C12H13BrN2O2S

Molecular Weight:

329.2128

Catalog Number:

AG01BAVF

Chemical Name:

3-[(4-bromothiophen-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

CAS Number:

1292607-12-5

Molecular Formula:

C12H13BrN2O2S

Molecular Weight:

329.2128

MDL Number:

MFCD16222224

IUPAC Name:

3-[(4-bromothiophen-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

InChI:

InChI=1S/C12H13BrN2O2S/c13-8-5-9(18-7-8)6-15-10(16)12(14-11(15)17)3-1-2-4-12/h5,7H,1-4,6H2,(H,14,17)

InChI Key:

IQZRYACWRFGHCP-UHFFFAOYSA-N

SMILES:

Brc1csc(c1)CN1C(=O)NC2(C1=O)CCCC2

Complexity:

384

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

327.988g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

329.212g/mol

Monoisotopic Mass:

327.988g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1