Name: Name:ethyl 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate
Brand: Angene
SKU: AG00ABGM
Rating: 90 (10 reviews)

ethyl 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate

CAS No.:

154325-77-6

Catalog Number:

AG00ABGM

Molecular Formula:

C26H32ClNO3S

Molecular Weight:

474.0552

Catalog Number:

AG00ABGM

Chemical Name:

ethyl 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate

CAS Number:

154325-77-6

Molecular Formula:

C26H32ClNO3S

Molecular Weight:

474.0552

MDL Number:

MFCD16620491

IUPAC Name:

ethyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-2-yl]-2,2-dimethylpropanoate

InChI:

InChI=1S/C26H32ClNO3S/c1-7-31-24(30)26(5,6)15-22-23(32-25(2,3)4)20-14-19(29)12-13-21(20)28(22)16-17-8-10-18(27)11-9-17/h8-14,29H,7,15-16H2,1-6H3

InChI Key:

AVBTZHWSUJBQKD-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(Cc1c(SC(C)(C)C)c2c(n1Cc1ccc(cc1)Cl)ccc(c2)O)(C)C

Complexity:

629

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

473.179g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

474.056g/mol

Monoisotopic Mass:

473.179g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.8