 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-piperidin-1-ylethanone

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-piperidin-1-ylethanone

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-piperidin-1-ylethanone structure

CAS No:
6569-46-6
Formula:
C17H18N2O3S
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-piperidin-1-ylethanone
Synonyms:
6569-46-6;Enamine_003103;Oprea1_616757;MLS002246302;CHEMBL1885067;DTXSID50368203;HMS1402N01;HMS3052J17;ZINC3228333;AKOS017003062;MCULE-7649118142;SMR001309920;SR-01000032647;SR-01000032647-1;Z18510017;T0507-9795;3-[2-oxo-2-(piperidin-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;380437-78-5

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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-piperidin-1-ylethanone Basic Attributes

Molecular Weight：

330.4 g/mol

Exact Mass：

330.10381361 g/mol

DSSTox ID：

DTXSID50368203

Characteristics

PSA：

66.1 Å²

Water Solubility：

>49.6 [ug/mL]

Computed Properties

Molecular Weight:330.4
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:330.10381361
Monoisotopic Mass:330.10381361
Topological Polar Surface Area:66.1
Heavy Atom Count:23
Complexity:565
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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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-piperidin-1-ylethanone

Basic Attributes
Characteristics
Computed Properties

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