 Home > Encyclopedia > 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-13-propan-2-yl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

4-(1,3-benzothiazol-2-ylsulfanylmethyl)-13-propan-2-yl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

4-(1,3-benzothiazol-2-ylsulfanylmethyl)-13-propan-2-yl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene structure

CAS No:
587005-10-5
Formula:
C21H20N6S3
Chemical Name:
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-13-propan-2-yl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Synonyms:
STK558453;ZINC20332186;AKOS005484154;MCULE-9780642592;2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine;587005-10-5

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4-(1,3-benzothiazol-2-ylsulfanylmethyl)-13-propan-2-yl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene Basic Attributes

Molecular Weight：

452.6 g/mol

Exact Mass：

452.09115818 g/mol

Characteristics

PSA：

141 Å²

Computed Properties

Molecular Weight:452.6
XLogP3:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:452.09115818
Monoisotopic Mass:452.09115818
Topological Polar Surface Area:141
Heavy Atom Count:30
Complexity:626
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-13-propan-2-yl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

Basic Attributes
Characteristics
Computed Properties

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