 Home > Encyclopedia > 2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone structure

CAS No:
554440-41-4
Formula:
C22H21N3O3S
Chemical Name:
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
Synonyms:
MLS002246376;CHEMBL1707091;HMS3040B09;ZINC3319966;AKOS033627188;MCULE-8946063409;SMR001309992;Z18509401;3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2lambda6-thia-3-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaene-2,2-dione;554440-41-4

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2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone Basic Attributes

Molecular Weight：

407.5 g/mol

Exact Mass：

407.13036271 g/mol

Characteristics

PSA：

69.3 Å²

Water Solubility：

3.4 [ug/mL]

Computed Properties

Molecular Weight:407.5
XLogP3:3.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:407.13036271
Monoisotopic Mass:407.13036271
Topological Polar Surface Area:69.3
Heavy Atom Count:29
Complexity:707
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methyl alcohol formula; cefepime drug; pocl3; density of cyclooctene; smz/tmp; 2-methyl-2-butene

Guide of 2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone

Basic Attributes
Characteristics
Computed Properties

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