Name: Name:1H-Indazole-1-carboxylic acid, 5-[[2-(3-hydroxyphenyl)-4-quinazolinyl]aMino]-, 1,1-diMethylethyl ester
Brand: Angene
SKU: AG00GTXU
Rating: 90 (10 reviews)

1H-Indazole-1-carboxylic acid, 5-[[2-(3-hydroxyphenyl)-4-quinazolinyl]aMino]-, 1,1-diMethylethyl ester

CAS No.:

911417-26-0

Catalog Number:

AG00GTXU

Molecular Formula:

C26H23N5O3

Molecular Weight:

453.4925

Catalog Number:

AG00GTXU

Chemical Name:

1H-Indazole-1-carboxylic acid, 5-[[2-(3-hydroxyphenyl)-4-quinazolinyl]aMino]-, 1,1-diMethylethyl ester

CAS Number:

911417-26-0

Molecular Formula:

C26H23N5O3

Molecular Weight:

453.4925

IUPAC Name:

tert-butyl 5-[[2-(3-hydroxyphenyl)quinazolin-4-yl]amino]indazole-1-carboxylate

InChI:

InChI=1S/C26H23N5O3/c1-26(2,3)34-25(33)31-22-12-11-18(13-17(22)15-27-31)28-24-20-9-4-5-10-21(20)29-23(30-24)16-7-6-8-19(32)14-16/h4-15,32H,1-3H3,(H,28,29,30)

InChI Key:

ZQJFYAJEBJLURU-UHFFFAOYSA-N

SMILES:

Oc1cccc(c1)c1nc(Nc2ccc3c(c2)cnn3C(=O)OC(C)(C)C)c2c(n1)cccc2

Complexity:

715

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

453.18g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

453.502g/mol

Monoisotopic Mass:

453.18g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6