Name: Name:N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide
Brand: Angene
SKU: AG01F557
Rating: 90 (10 reviews)

N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide

CAS No.:

305861-19-2

Catalog Number:

AG01F557

Molecular Formula:

C21H17N5O3

Molecular Weight:

387.3914

Catalog Number:

AG01F557

Chemical Name:

N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide

CAS Number:

305861-19-2

Molecular Formula:

C21H17N5O3

Molecular Weight:

387.3914

MDL Number:

MFCD01924536

IUPAC Name:

N-[benzotriazol-1-yl-(4-nitrophenyl)methyl]-4-methylbenzamide

InChI:

InChI=1S/C21H17N5O3/c1-14-6-8-16(9-7-14)21(27)22-20(15-10-12-17(13-11-15)26(28)29)25-19-5-3-2-4-18(19)23-24-25/h2-13,20H,1H3,(H,22,27)

InChI Key:

YUYXTAWSALAGGA-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)C(=O)NC(n1nnc2c1cccc2)c1ccc(cc1)[N+](=O)[O-]

Complexity:

581

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

387.133g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

387.399g/mol

Monoisotopic Mass:

387.133g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: