CAS 14705-60-3 | Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)- | CAS Number 14705-60-3

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14705-60-3 | Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-

CAS No: 14705-60-3 Catalog No: AG001EKA MDL No:

Product Description

Catalog Number:

AG001EKA

Chemical Name:

Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-

CAS Number:

14705-60-3

Molecular Formula:

C14H16N2O2

Molecular Weight:

244.2890

IUPAC Name:

3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

InChI:

InChI=1S/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)

InChI Key:

QZBUWPVZSXDWSB-UHFFFAOYSA-N

SMILES:

O=C1NC(Cc2ccccc2)C(=O)N2C1CCC2

Properties

Complexity:

350

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

244.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.294g/mol

Monoisotopic Mass:

244.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Correlation of electronic structures of three cyclic dipeptides with their photoemission spectra.	The Journal of chemical physics 20101107
Antifungal compounds from cultures of dairy propionibacteria type strains.	FEMS microbiology letters 20070601
Caspase-3 activation and induction of PARP cleavage by cyclic dipeptide cyclo(Phe-Pro) in HT-29 cells.	Anticancer research 20050101