Name: Name:1-{[3-Ethyl-2-(4-nitrophenyl)imidazolidin-1-yl]methyl}-1H-1,2,3-benzotriazole
Brand: Angene
SKU: AG01EVXT
Rating: 90 (10 reviews)

1-{[3-Ethyl-2-(4-nitrophenyl)imidazolidin-1-yl]methyl}-1H-1,2,3-benzotriazole

CAS No.:

433219-44-4

Catalog Number:

AG01EVXT

Molecular Formula:

C18H20N6O2

Molecular Weight:

352.3904

Catalog Number:

AG01EVXT

Chemical Name:

1-{[3-Ethyl-2-(4-nitrophenyl)imidazolidin-1-yl]methyl}-1H-1,2,3-benzotriazole

CAS Number:

433219-44-4

Molecular Formula:

C18H20N6O2

Molecular Weight:

352.3904

MDL Number:

MFCD03643913

IUPAC Name:

1-[[3-ethyl-2-(4-nitrophenyl)imidazolidin-1-yl]methyl]benzotriazole

InChI:

InChI=1S/C18H20N6O2/c1-2-21-11-12-22(13-23-17-6-4-3-5-16(17)19-20-23)18(21)14-7-9-15(10-8-14)24(25)26/h3-10,18H,2,11-13H2,1H3

InChI Key:

VVJQHWQANUYNNR-UHFFFAOYSA-N

SMILES:

CCN1CCN(C1c1ccc(cc1)[N+](=O)[O-])Cn1nnc2c1cccc2

Complexity:

493

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

352.165g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

352.398g/mol

Monoisotopic Mass:

352.165g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8