Name: Name:4-{[5-(ethoxycarbonyl)-4-phenyl-1,3-thiazol-2-yl]amino}butanoic acid
Brand: Angene
SKU: AG019P6A
Rating: 90 (10 reviews)

4-{[5-(ethoxycarbonyl)-4-phenyl-1,3-thiazol-2-yl]amino}butanoic acid

CAS No.:

873208-56-1

Catalog Number:

AG019P6A

Molecular Formula:

C16H18N2O4S

Molecular Weight:

334.3901

Catalog Number:

AG019P6A

Chemical Name:

4-{[5-(ethoxycarbonyl)-4-phenyl-1,3-thiazol-2-yl]amino}butanoic acid

CAS Number:

873208-56-1

Molecular Formula:

C16H18N2O4S

Molecular Weight:

334.3901

MDL Number:

MFCD07687260

IUPAC Name:

4-[(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid

InChI:

InChI=1S/C16H18N2O4S/c1-2-22-15(21)14-13(11-7-4-3-5-8-11)18-16(23-14)17-10-6-9-12(19)20/h3-5,7-8H,2,6,9-10H2,1H3,(H,17,18)(H,19,20)

InChI Key:

GIHUXQNDMORFTG-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1sc(nc1c1ccccc1)NCCCC(=O)O

Complexity:

402

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

334.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

334.39g/mol

Monoisotopic Mass:

334.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

117A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3