Name: Name:ethyl 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylMethoxy)-1H-indol-2-yl)-2,2-diMethylpropanoate
Brand: Angene
SKU: AG00ABGO
Rating: 90 (10 reviews)

ethyl 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylMethoxy)-1H-indol-2-yl)-2,2-diMethylpropanoate

CAS No.:

189239-02-9

Catalog Number:

AG00ABGO

Molecular Formula:

C36H39ClN2O3S

Molecular Weight:

615.2245

Catalog Number:

AG00ABGO

Chemical Name:

ethyl 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylMethoxy)-1H-indol-2-yl)-2,2-diMethylpropanoate

CAS Number:

189239-02-9

Molecular Formula:

C36H39ClN2O3S

Molecular Weight:

615.2245

MDL Number:

MFCD22419890

IUPAC Name:

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

InChI:

InChI=1S/C36H39ClN2O3S/c1-7-41-34(40)36(5,6)21-32-33(43-35(2,3)4)29-20-28(42-23-27-17-14-25-10-8-9-11-30(25)38-27)18-19-31(29)39(32)22-24-12-15-26(37)16-13-24/h8-20H,7,21-23H2,1-6H3

InChI Key:

LGPVYVUYKWUSAV-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(Cc1c(SC(C)(C)C)c2c(n1Cc1ccc(cc1)Cl)ccc(c2)OCc1ccc2c(n1)cccc2)(C)C

Complexity:

903

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

614.237g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

615.229g/mol

Monoisotopic Mass:

614.237g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.9