Name: Name:Propanoic acid, 3-[(triphenylmethyl)thio]-, 2,5-dioxo-1-pyrrolidinyl ester
Brand: Angene
SKU: AG000Z5A
Rating: 90 (10 reviews)

Propanoic acid, 3-[(triphenylmethyl)thio]-, 2,5-dioxo-1-pyrrolidinyl ester

CAS No.:

129431-12-5

Catalog Number:

AG000Z5A

Molecular Formula:

C26H23NO4S

Molecular Weight:

445.5301

Catalog Number:

AG000Z5A

Chemical Name:

Propanoic acid, 3-[(triphenylmethyl)thio]-, 2,5-dioxo-1-pyrrolidinyl ester

CAS Number:

129431-12-5

Molecular Formula:

C26H23NO4S

Molecular Weight:

445.5301

MDL Number:

MFCD26743571

IUPAC Name:

(2,5-dioxopyrrolidin-1-yl) 3-tritylsulfanylpropanoate

InChI:

InChI=1S/C26H23NO4S/c28-23-16-17-24(29)27(23)31-25(30)18-19-32-26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H,16-19H2

InChI Key:

KLOAPUSZAUJNRC-UHFFFAOYSA-N

SMILES:

O=C(ON1C(=O)CCC1=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1

Complexity:

601

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

445.135g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

445.533g/mol

Monoisotopic Mass:

445.135g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5