Name: Name:1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-methoxy-ethyl ester
Brand: Angene
SKU: AG00ABGN
Rating: 90 (10 reviews)

1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-methoxy-ethyl ester

CAS No.:

154325-76-5

Catalog Number:

AG00ABGN

Molecular Formula:

C27H34ClNO3S

Molecular Weight:

488.0818

Catalog Number:

AG00ABGN

Chemical Name:

1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-methoxy-ethyl ester

CAS Number:

154325-76-5

Molecular Formula:

C27H34ClNO3S

Molecular Weight:

488.0818

MDL Number:

MFCD22419888

IUPAC Name:

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

InChI:

InChI=1S/C27H34ClNO3S/c1-8-32-25(30)27(5,6)16-23-24(33-26(2,3)4)21-15-20(31-7)13-14-22(21)29(23)17-18-9-11-19(28)12-10-18/h9-15H,8,16-17H2,1-7H3

InChI Key:

JPXNJCVPJOZELR-UHFFFAOYSA-N

SMILES:

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

Complexity:

644

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

487.195g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

488.083g/mol

Monoisotopic Mass:

487.195g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.1