Name: Name:2-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imine
Brand: Angene
SKU: AG0006UQ
Rating: 90 (10 reviews)

2-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imine

CAS No.:

102187-19-9

Catalog Number:

AG0006UQ

Molecular Formula:

C28H27N3O2

Molecular Weight:

437.5329

Catalog Number:

AG0006UQ

Chemical Name:

2-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imine

CAS Number:

102187-19-9

Molecular Formula:

C28H27N3O2

Molecular Weight:

437.5329

MDL Number:

MFCD00191571

IUPAC Name:

4-[4-(diethylamino)-2-methylphenyl]imino-1-oxo-N-phenylnaphthalene-2-carboxamide

InChI:

InChI=1S/C28H27N3O2/c1-4-31(5-2)21-15-16-25(19(3)17-21)30-26-18-24(27(32)23-14-10-9-13-22(23)26)28(33)29-20-11-7-6-8-12-20/h6-18H,4-5H2,1-3H3,(H,29,33)

InChI Key:

ZYKBEIDPRRYKKQ-UHFFFAOYSA-N

SMILES:

CCN(c1ccc(c(c1)C)N=C1C=C(C(=O)Nc2ccccc2)C(=O)c2c1cccc2)CC

Complexity:

763

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

437.21g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

437.543g/mol

Monoisotopic Mass:

437.21g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6