Name: Name:N-(5-(5-Chlorobenzo[d]oxazol-2-yl)-2-methylphenyl)-3-methyl-4-nitrobenzamide
Brand: Angene
SKU: AG01F2A5
Rating: 90 (10 reviews)

N-(5-(5-Chlorobenzo[d]oxazol-2-yl)-2-methylphenyl)-3-methyl-4-nitrobenzamide

CAS No.:

400740-94-5

Catalog Number:

AG01F2A5

Molecular Formula:

C22H16ClN3O4

Molecular Weight:

421.8331

Catalog Number:

AG01F2A5

Chemical Name:

N-(5-(5-Chlorobenzo[d]oxazol-2-yl)-2-methylphenyl)-3-methyl-4-nitrobenzamide

CAS Number:

400740-94-5

Molecular Formula:

C22H16ClN3O4

Molecular Weight:

421.8331

MDL Number:

MFCD00606448

IUPAC Name:

N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methyl-4-nitrobenzamide

InChI:

InChI=1S/C22H16ClN3O4/c1-12-3-4-15(22-25-18-11-16(23)6-8-20(18)30-22)10-17(12)24-21(27)14-5-7-19(26(28)29)13(2)9-14/h3-11H,1-2H3,(H,24,27)

InChI Key:

DPLMDFABIMRVBV-UHFFFAOYSA-N

SMILES:

Clc1ccc2c(c1)nc(o2)c1ccc(c(c1)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-])C

Complexity:

644

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

421.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

421.837g/mol

Monoisotopic Mass:

421.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4