Name: Name:Propanedioic acid, 2-(acetylaMino)-2-[(7-chloro-1H-indol-3-yl)Methyl]-, 1,3-diethyl ester
Brand: Angene
SKU: AG00ECEG
Rating: 90 (10 reviews)

Propanedioic acid, 2-(acetylaMino)-2-[(7-chloro-1H-indol-3-yl)Methyl]-, 1,3-diethyl ester

CAS No.:

582319-05-9

Catalog Number:

AG00ECEG

Molecular Formula:

C18H21ClN2O5

Molecular Weight:

380.8227

Catalog Number:

AG00ECEG

Chemical Name:

Propanedioic acid, 2-(acetylaMino)-2-[(7-chloro-1H-indol-3-yl)Methyl]-, 1,3-diethyl ester

CAS Number:

582319-05-9

Molecular Formula:

C18H21ClN2O5

Molecular Weight:

380.8227

MDL Number:

MFCD26967973

IUPAC Name:

diethyl 2-acetamido-2-[(7-chloro-1H-indol-3-yl)methyl]propanedioate

InChI:

InChI=1S/C18H21ClN2O5/c1-4-25-16(23)18(21-11(3)22,17(24)26-5-2)9-12-10-20-15-13(12)7-6-8-14(15)19/h6-8,10,20H,4-5,9H2,1-3H3,(H,21,22)

InChI Key:

ASMIVFYOQIDMLJ-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(C(=O)OCC)(Cc1c[nH]c2c1cccc2Cl)NC(=O)C

Complexity:

524

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

380.114g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

380.825g/mol

Monoisotopic Mass:

380.114g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9