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

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

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

CAS No:
452943-92-9
Formula:
C21H17N3O3S
Chemical Name:
N-(2-cyanoethyl)-2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-phenylacetamide
Synonyms:
Oprea1_455542;MLS002246459;CHEMBL1899140;HMS3094D14;ZINC3244076;AKOS034441501;MCULE-1692125004;SMR001310073;SR-01000036782;SR-01000036782-1;Z54607803;452943-92-9;N-(2-cyanoethyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}-N-phenylacetamide

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

Molecular Weight：

391.4 g/mol

Exact Mass：

391.09906259 g/mol

Characteristics

PSA：

89.9 Å²

Water Solubility：

15 [ug/mL]

Computed Properties

Molecular Weight:391.4
XLogP3:2.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:391.09906259
Monoisotopic Mass:391.09906259
Topological Polar Surface Area:89.9
Heavy Atom Count:28
Complexity:732
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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