CAS 41807-37-8 | 2,4-Imidazolidinedione, 3-ethyl-5-phenyl-, (R)- | CAS Number 41807-37-8

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41807-37-8 | 2,4-Imidazolidinedione, 3-ethyl-5-phenyl-, (R)-

CAS No: 41807-37-8 Catalog No: AG0075CK MDL No:

Product Description

Catalog Number:

AG0075CK

Chemical Name:

2,4-Imidazolidinedione, 3-ethyl-5-phenyl-, (R)-

CAS Number:

41807-37-8

Molecular Formula:

C11H12N2O2

Molecular Weight:

204.2252

IUPAC Name:

(5R)-3-ethyl-5-phenylimidazolidine-2,4-dione

InChI:

InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)/t9-/m1/s1

InChI Key:

SZQIFWWUIBRPBZ-SECBINFHSA-N

SMILES:

CCN1C(=O)N[C@@H](C1=O)c1ccccc1

UNII:

6026V958QL

Properties

Complexity:

272

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.229g/mol

Monoisotopic Mass:

204.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
In silico prediction of pregnane X receptor activators by machine learning approaches.	Molecular pharmacology 20070101
Key structural features of ligands for activation of human pregnane X receptor.	Drug metabolism and disposition: the biological fate of chemicals 20040401