 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-(furan-2-carbonyl)piperazin-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-(furan-2-carbonyl)piperazin-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-(furan-2-carbonyl)piperazin-1-yl]ethanone structure

CAS No:
452965-25-2
Formula:
C21H19N3O5S
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-(furan-2-carbonyl)piperazin-1-yl]ethanone
Synonyms:
Oprea1_285513;CHEMBL4522999;ZINC3275846;AKOS033627235;MCULE-8325752806;Z18509812;3-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-2lambda6-thia-3-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaene-2,2-dione;452965-25-2

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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-(furan-2-carbonyl)piperazin-1-yl]ethanone Basic Attributes

Molecular Weight：

425.5 g/mol

Exact Mass：

425.10454189 g/mol

Characteristics

PSA：

99.5 Å²

Computed Properties

Molecular Weight:425.5
XLogP3:1.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:425.10454189
Monoisotopic Mass:425.10454189
Topological Polar Surface Area:99.5
Heavy Atom Count:30
Complexity:789
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-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

Basic Attributes
Characteristics
Computed Properties

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