Name: Name:1-{3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]phenyl}-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01EKNQ
Rating: 90 (10 reviews)

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

CAS No.:

2138248-12-9

Catalog Number:

AG01EKNQ

Molecular Formula:

C26H21N3O4

Molecular Weight:

439.4626

Catalog Number:

AG01EKNQ

Chemical Name:

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

CAS Number:

2138248-12-9

Molecular Formula:

C26H21N3O4

Molecular Weight:

439.4626

MDL Number:

MFCD31593368

IUPAC Name:

1-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]pyrazole-3-carboxylic acid

InChI:

InChI=1S/C26H21N3O4/c30-25(31)24-12-13-29(28-24)18-7-5-6-17(14-18)15-27-26(32)33-16-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-14,23H,15-16H2,(H,27,32)(H,30,31)

InChI Key:

ROPCLMZMXKFPIN-UHFFFAOYSA-N

SMILES:

O=C(NCc1cccc(c1)n1ccc(n1)C(=O)O)OCC1c2ccccc2c2c1cccc2

Complexity:

681

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

439.153g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

439.471g/mol

Monoisotopic Mass:

439.153g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4