Name: Name:Acetic acid, 2-[(4Z)-1-(2-chlorophenyl)-4-[[3-(dimethylamino)phenyl](methylamino)methylene]-5-oxo-3-pyrazolidinylidene]-, methyl ester
Brand: Angene
SKU: AG0023BL
Rating: 90 (10 reviews)

Acetic acid, 2-[(4Z)-1-(2-chlorophenyl)-4-[[3-(dimethylamino)phenyl](methylamino)methylene]-5-oxo-3-pyrazolidinylidene]-, methyl ester

CAS No.:

1820587-57-2

Catalog Number:

AG0023BL

Molecular Formula:

C22H23ClN4O3

Molecular Weight:

426.8960

Catalog Number:

AG0023BL

Chemical Name:

Acetic acid, 2-[(4Z)-1-(2-chlorophenyl)-4-[[3-(dimethylamino)phenyl](methylamino)methylene]-5-oxo-3-pyrazolidinylidene]-, methyl ester

CAS Number:

1820587-57-2

Molecular Formula:

C22H23ClN4O3

Molecular Weight:

426.8960

MDL Number:

MFCD28369464

IUPAC Name:

methyl 2-[2-(2-chlorophenyl)-4-[C-[3-(dimethylamino)phenyl]-N-methylcarbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate

InChI:

InChI=1S/C22H23ClN4O3/c1-24-21(14-8-7-9-15(12-14)26(2)3)20-17(13-19(28)30-4)25-27(22(20)29)18-11-6-5-10-16(18)23/h5-12,25H,13H2,1-4H3

InChI Key:

LAGIKXDZOLBOMW-UHFFFAOYSA-N

SMILES:

CN/C(=c\1/c(=CC(=O)OC)[nH]n(c1=O)c1ccccc1Cl)/c1cccc(c1)N(C)C

Complexity:

721

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

426.146g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

426.901g/mol

Monoisotopic Mass:

426.146g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8