Name: Name:5,7-dimethoxy-8-(1-(4-methoxyphenyl)-3-oxo-3-(pyrrolidin-1-yl)propyl)-4-phenyl-2H-chromen-2-one
Brand: Angene
SKU: AG01DGVD
Rating: 90 (10 reviews)

5,7-dimethoxy-8-(1-(4-methoxyphenyl)-3-oxo-3-(pyrrolidin-1-yl)propyl)-4-phenyl-2H-chromen-2-one

CAS No.:

958843-91-9

Catalog Number:

AG01DGVD

Molecular Formula:

C31H31NO6

Molecular Weight:

513.5809

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Product Description

Catalog Number:

AG01DGVD

Chemical Name:

5,7-dimethoxy-8-(1-(4-methoxyphenyl)-3-oxo-3-(pyrrolidin-1-yl)propyl)-4-phenyl-2H-chromen-2-one

CAS Number:

958843-91-9

Molecular Formula:

C31H31NO6

Molecular Weight:

513.5809

IUPAC Name:

5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-4-phenylchromen-2-one

InChI:

InChI=1S/C31H31NO6/c1-35-22-13-11-21(12-14-22)23(17-27(33)32-15-7-8-16-32)29-25(36-2)19-26(37-3)30-24(18-28(34)38-31(29)30)20-9-5-4-6-10-20/h4-6,9-14,18-19,23H,7-8,15-17H2,1-3H3

InChI Key:

PROGRNRRJJYCNX-UHFFFAOYSA-N

SMILES:

COc1cc(OC)c2c(c1C(c1ccc(cc1)OC)CC(=O)N1CCCC1)oc(=O)cc2c1ccccc1

Properties

Complexity:

839

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

513.215g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

513.59g/mol

Monoisotopic Mass:

513.215g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501