Name: Name:tert-butyl N-{4-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]phenyl}carbamate
Brand: Angene
SKU: AG019LB8
Rating: 90 (10 reviews)

tert-butyl N-{4-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]phenyl}carbamate

CAS No.:

1000932-68-2

Catalog Number:

AG019LB8

Molecular Formula:

C18H25N3O4

Molecular Weight:

347.4088

Catalog Number:

AG019LB8

Chemical Name:

tert-butyl N-{4-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]phenyl}carbamate

CAS Number:

1000932-68-2

Molecular Formula:

C18H25N3O4

Molecular Weight:

347.4088

MDL Number:

MFCD09863392

IUPAC Name:

tert-butyl N-[4-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]phenyl]carbamate

InChI:

InChI=1S/C18H25N3O4/c1-18(2,3)25-17(24)19-15-6-4-14(5-7-15)12-16(23)21-10-8-20(13-22)9-11-21/h4-7,13H,8-12H2,1-3H3,(H,19,24)

InChI Key:

WYVUZRZEPKMPFX-UHFFFAOYSA-N

SMILES:

O=CN1CCN(CC1)C(=O)Cc1ccc(cc1)NC(=O)OC(C)(C)C

Complexity:

473

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

347.185g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

347.415g/mol

Monoisotopic Mass:

347.185g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2