Name: Name:2-{3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]phenyl}-1,3-thiazole-4-carboxylic acid
Brand: Angene
SKU: AG01EKUW
Rating: 90 (10 reviews)

2-{3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]phenyl}-1,3-thiazole-4-carboxylic acid

CAS No.:

2137567-23-6

Catalog Number:

AG01EKUW

Molecular Formula:

C26H20N2O4S

Molecular Weight:

456.5130

Catalog Number:

AG01EKUW

Chemical Name:

2-{3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]phenyl}-1,3-thiazole-4-carboxylic acid

CAS Number:

2137567-23-6

Molecular Formula:

C26H20N2O4S

Molecular Weight:

456.5130

MDL Number:

MFCD31421851

IUPAC Name:

2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]-1,3-thiazole-4-carboxylic acid

InChI:

InChI=1S/C26H20N2O4S/c29-25(30)23-15-33-24(28-23)17-7-5-6-16(12-17)13-27-26(31)32-14-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,15,22H,13-14H2,(H,27,31)(H,29,30)

InChI Key:

KDWVJOKQJCHCEB-UHFFFAOYSA-N

SMILES:

O=C(NCc1cccc(c1)c1scc(n1)C(=O)O)OCC1c2ccccc2c2c1cccc2

Complexity:

684

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

456.114g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

456.516g/mol

Monoisotopic Mass:

456.114g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

117A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.1