Name: Name:2-(1-(((9H-fluoren-9-yl)methoxy)carbonyl)-4-benzylpiperazin-2-yl)acetic acid
Brand: Angene
SKU: AG01DGMC
Rating: 90 (10 reviews)

2-(1-(((9H-fluoren-9-yl)methoxy)carbonyl)-4-benzylpiperazin-2-yl)acetic acid

CAS No.:

2102410-46-6

Catalog Number:

AG01DGMC

Molecular Formula:

C28H28N2O4

Molecular Weight:

456.5329

Catalog Number:

AG01DGMC

Chemical Name:

2-(1-(((9H-fluoren-9-yl)methoxy)carbonyl)-4-benzylpiperazin-2-yl)acetic acid

CAS Number:

2102410-46-6

Molecular Formula:

C28H28N2O4

Molecular Weight:

456.5329

MDL Number:

MFCD31555323

IUPAC Name:

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

InChI:

InChI=1S/C28H28N2O4/c31-27(32)16-21-18-29(17-20-8-2-1-3-9-20)14-15-30(21)28(33)34-19-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h1-13,21,26H,14-19H2,(H,31,32)

InChI Key:

PMHIFRNPUMRXOH-UHFFFAOYSA-N

SMILES:

OC(=O)CC1CN(CCN1C(=O)OCC1c2ccccc2c2c1cccc2)Cc1ccccc1

Complexity:

687

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

456.205g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

456.542g/mol

Monoisotopic Mass:

456.205g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8