Name: Name:6'-(Ethyl-(3-methylbutyl)amino)-3'-methyl-2'-(phenylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Brand: Angene
SKU: AG00334J
Rating: 90 (10 reviews)

6'-(Ethyl-(3-methylbutyl)amino)-3'-methyl-2'-(phenylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one

CAS No.:

70516-41-5

Catalog Number:

AG00334J

Molecular Formula:

C34H34N2O3

Molecular Weight:

518.6454

Catalog Number:

AG00334J

Chemical Name:

6'-(Ethyl-(3-methylbutyl)amino)-3'-methyl-2'-(phenylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one

CAS Number:

70516-41-5

Molecular Formula:

C34H34N2O3

Molecular Weight:

518.6454

MDL Number:

MFCD11044531

IUPAC Name:

2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one

InChI:

InChI=1S/C34H34N2O3/c1-5-36(18-17-22(2)3)25-15-16-28-32(20-25)38-31-19-23(4)30(35-24-11-7-6-8-12-24)21-29(31)34(28)27-14-10-9-13-26(27)33(37)39-34/h6-16,19-22,35H,5,17-18H2,1-4H3

InChI Key:

HUSIBQLZEMMTCQ-UHFFFAOYSA-N

SMILES:

CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)C)Nc1ccccc1)CCC(C)C

EC Number:

274-641-1

Complexity:

842

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

518.257g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

518.657g/mol

Monoisotopic Mass:

518.257g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.2