Name: Name:ethyl 2-{3-benzyl-2-[(2-methoxyphenyl)imino]-3,6-dihydro-2H-1,3,4-thiadiazin-5-yl}acetate
Brand: Angene
SKU: AG019IAG
Rating: 90 (10 reviews)

ethyl 2-{3-benzyl-2-[(2-methoxyphenyl)imino]-3,6-dihydro-2H-1,3,4-thiadiazin-5-yl}acetate

CAS No.:

735320-30-6

Catalog Number:

AG019IAG

Molecular Formula:

C21H23N3O3S

Molecular Weight:

397.4906

Catalog Number:

AG019IAG

Chemical Name:

ethyl 2-{3-benzyl-2-[(2-methoxyphenyl)imino]-3,6-dihydro-2H-1,3,4-thiadiazin-5-yl}acetate

CAS Number:

735320-30-6

Molecular Formula:

C21H23N3O3S

Molecular Weight:

397.4906

MDL Number:

MFCD28155345

IUPAC Name:

ethyl 2-[3-benzyl-2-(2-methoxyphenyl)imino-6H-1,3,4-thiadiazin-5-yl]acetate

InChI:

InChI=1S/C21H23N3O3S/c1-3-27-20(25)13-17-15-28-21(22-18-11-7-8-12-19(18)26-2)24(23-17)14-16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3

InChI Key:

XVGAFSFCYPYVMA-UHFFFAOYSA-N

SMILES:

CCOC(=O)CC1=NN(C(=Nc2ccccc2OC)SC1)Cc1ccccc1

Complexity:

575

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

397.146g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

397.493g/mol

Monoisotopic Mass:

397.146g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2