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

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

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

CAS No:
454189-23-2
Formula:
C18H13BrN2O3S
Chemical Name:
N-(2-bromophenyl)-2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetamide
Synonyms:
Oprea1_112620;MLS002249702;CHEMBL1705212;HMS3058N15;ZINC3229155;AKOS033627256;MCULE-1207436229;SMR001317128;Z18509991;454189-23-2;N-(2-bromophenyl)-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}acetamide

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

Molecular Weight：

417.3 g/mol

Exact Mass：

415.98303 g/mol

Characteristics

PSA：

74.9 Å²

Water Solubility：

4.4 [ug/mL]

Computed Properties

Molecular Weight:417.3
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:415.98303
Monoisotopic Mass:415.98303
Topological Polar Surface Area:74.9
Heavy Atom Count:25
Complexity:620
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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