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ethyl 3,5-dimethyl-4-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]-1H-pyrrole-2-carboxylate

ethyl 3,5-dimethyl-4-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]-1H-pyrrole-2-carboxylate structure

CAS No:
380385-01-3
Formula:
C19H18N4O3S2
Chemical Name:
ethyl 3,5-dimethyl-4-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]-1H-pyrrole-2-carboxylate
Synonyms:
Oprea1_091957;ZINC3171961;AKOS034453187;MCULE-9555874112;Z56777135;380385-01-3;ethyl 3,5-dimethyl-4-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetyl)-1H-pyrrole-2-carboxylate

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ethyl 3,5-dimethyl-4-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]-1H-pyrrole-2-carboxylate Basic Attributes

Molecular Weight：

414.5 g/mol

Exact Mass：

414.08203280 g/mol

Characteristics

PSA：

143 Å²

Computed Properties

Molecular Weight:414.5
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:414.08203280
Monoisotopic Mass:414.08203280
Topological Polar Surface Area:143
Heavy Atom Count:28
Complexity:610
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 3,5-dimethyl-4-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]-1H-pyrrole-2-carboxylate

Basic Attributes
Characteristics
Computed Properties
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