 Home > Encyclopedia > N-(4-bromophenyl)-2-(12,12-dimethyl-3-oxo-11-oxa-8-thia-4,5,6-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)acetamide

N-(4-bromophenyl)-2-(12,12-dimethyl-3-oxo-11-oxa-8-thia-4,5,6-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)acetamide

N-(4-bromophenyl)-2-(12,12-dimethyl-3-oxo-11-oxa-8-thia-4,5,6-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)acetamide structure

CAS No:
850763-53-0
Formula:
C18H17BrN4O3S
Chemical Name:
N-(4-bromophenyl)-2-(12,12-dimethyl-3-oxo-11-oxa-8-thia-4,5,6-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)acetamide
Synonyms:
ZINC2426920;STL234031;AKOS025273997;MCULE-3058659785;850763-53-0;N-(4-bromophenyl)-2-(6,6-dimethyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3(6H)-yl)acetamide

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N-(4-bromophenyl)-2-(12,12-dimethyl-3-oxo-11-oxa-8-thia-4,5,6-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)acetamide Basic Attributes

Molecular Weight：

449.3 g/mol

Exact Mass：

448.02047 g/mol

Characteristics

PSA：

112 Å²

Computed Properties

Molecular Weight:449.3
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:448.02047
Monoisotopic Mass:448.02047
Topological Polar Surface Area:112
Heavy Atom Count:27
Complexity:638
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(4-bromophenyl)-2-(12,12-dimethyl-3-oxo-11-oxa-8-thia-4,5,6-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)acetamide

Basic Attributes
Characteristics
Computed Properties

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