Name: Name:2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid
Brand: Angene
SKU: AG00I9AG
Rating: 90 (10 reviews)

2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid

CAS No.:

519150-66-4

Catalog Number:

AG00I9AG

Molecular Formula:

C28H31NO5

Molecular Weight:

461.5494

Catalog Number:

AG00I9AG

Chemical Name:

2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid

CAS Number:

519150-66-4

Molecular Formula:

C28H31NO5

Molecular Weight:

461.5494

MDL Number:

MFCD06328010

IUPAC Name:

2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

InChI:

InChI=1S/C28H31NO5/c1-28(2,3)18-14-17(11-16-12-22(32-4)26(34-6)23(13-16)33-5)25-20(15-18)24(27(30)31)19-9-7-8-10-21(19)29-25/h7-13,18H,14-15H2,1-6H3,(H,30,31)

InChI Key:

PDCDFNNJERUDRI-UHFFFAOYSA-N

SMILES:

COc1cc(C=C2CC(Cc3c2nc2ccccc2c3C(=O)O)C(C)(C)C)cc(c1OC)OC

Complexity:

732

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

461.22g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

461.558g/mol

Monoisotopic Mass:

461.22g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.8