Name: Name:4-chloro-5-(4-phenoxyphenyl)-7-(1,4-dioxaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidine
Brand: Angene
SKU: AG01DGNN
Rating: 90 (10 reviews)

4-chloro-5-(4-phenoxyphenyl)-7-(1,4-dioxaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidine

CAS No.:

490030-16-5

Catalog Number:

AG01DGNN

Molecular Formula:

C26H24ClN3O3

Molecular Weight:

461.9401

Catalog Number:

AG01DGNN

Chemical Name:

4-chloro-5-(4-phenoxyphenyl)-7-(1,4-dioxaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidine

CAS Number:

490030-16-5

Molecular Formula:

C26H24ClN3O3

Molecular Weight:

461.9401

MDL Number:

MFCD31803866

IUPAC Name:

4-chloro-7-(1,4-dioxaspiro[4.5]decan-8-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine

InChI:

InChI=1S/C26H24ClN3O3/c27-24-23-22(18-6-8-21(9-7-18)33-20-4-2-1-3-5-20)16-30(25(23)29-17-28-24)19-10-12-26(13-11-19)31-14-15-32-26/h1-9,16-17,19H,10-15H2

InChI Key:

GWKQACZYRHXBFA-UHFFFAOYSA-N

SMILES:

Clc1ncnc2c1c(cn2C1CCC2(CC1)OCCO2)c1ccc(cc1)Oc1ccccc1

Complexity:

639

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

461.151g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

461.946g/mol

Monoisotopic Mass:

461.151g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4