Name: Name:[2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl]-(4-nitro-benzylidene)-amine
Brand: Angene
SKU: AG01F2E2
Rating: 90 (10 reviews)

[2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl]-(4-nitro-benzylidene)-amine

CAS No.:

129463-02-1

Catalog Number:

AG01F2E2

Molecular Formula:

C22H18N4O3

Molecular Weight:

386.4033

Catalog Number:

AG01F2E2

Chemical Name:

[2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl]-(4-nitro-benzylidene)-amine

CAS Number:

129463-02-1

Molecular Formula:

C22H18N4O3

Molecular Weight:

386.4033

MDL Number:

MFCD00808739

IUPAC Name:

N,N-dimethyl-4-[5-[(4-nitrophenyl)methylideneamino]-1,3-benzoxazol-2-yl]aniline

InChI:

InChI=1S/C22H18N4O3/c1-25(2)18-10-5-16(6-11-18)22-24-20-13-17(7-12-21(20)29-22)23-14-15-3-8-19(9-4-15)26(27)28/h3-14H,1-2H3

InChI Key:

CVAMOBTXTRREQY-UHFFFAOYSA-N

SMILES:

CN(c1ccc(cc1)c1nc2c(o1)ccc(c2)/N=C/c1ccc(cc1)[N+](=O)[O-])C

Complexity:

577

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

386.138g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

386.411g/mol

Monoisotopic Mass:

386.138g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7