Name: Name:2-(4-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazin-1-yl)-2-phenylacetic acid
Brand: Angene
SKU: AG01EKRA
Rating: 90 (10 reviews)

2-(4-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazin-1-yl)-2-phenylacetic acid

CAS No.:

2137485-09-5

Catalog Number:

AG01EKRA

Molecular Formula:

C27H26N2O4

Molecular Weight:

442.5063

Catalog Number:

AG01EKRA

Chemical Name:

2-(4-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazin-1-yl)-2-phenylacetic acid

CAS Number:

2137485-09-5

Molecular Formula:

C27H26N2O4

Molecular Weight:

442.5063

MDL Number:

MFCD31689382

IUPAC Name:

2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-2-phenylacetic acid

InChI:

InChI=1S/C27H26N2O4/c30-26(31)25(19-8-2-1-3-9-19)28-14-16-29(17-15-28)27(32)33-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,24-25H,14-18H2,(H,30,31)

InChI Key:

KEFFHERUUDLOKN-UHFFFAOYSA-N

SMILES:

OC(=O)C(c1ccccc1)N1CCN(CC1)C(=O)OCC1c2ccccc2c2c1cccc2

Complexity:

664

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

442.189g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

442.515g/mol

Monoisotopic Mass:

442.189g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1