Catalog No.:AA00IUCN

551931-35-2 | 2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)acetic acid

Name: Name:2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)acetic acid
Brand: AABLOCKS
SKU: AA00IUCN
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Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA00IUCN

Chemical Name:

2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)acetic acid

CAS Number:

551931-35-2

Molecular Formula:

C14H17FN2O3S

Molecular Weight:

312.3598

MDL Number:

MFCD02186918

SMILES:

O=C(N1CCN(CC1)c1ccc(cc1)F)CSCC(=O)O

Properties

Computed Properties

Complexity:

367

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

1.7

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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