 Home > Encyclopedia > 8-butyl-13-methylsulfanyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene

8-butyl-13-methylsulfanyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene

8-butyl-13-methylsulfanyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene structure

CAS No:
372504-79-5
Formula:
C18H21N3S2
Chemical Name:
8-butyl-13-methylsulfanyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene
Synonyms:
ZINC2277786;STK833090;AKOS001679701;MCULE-7407294666;5-butyl-8-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline;372504-79-5;5-butyl-8-(methylsulfanyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

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8-butyl-13-methylsulfanyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene Basic Attributes

Molecular Weight：

343.5 g/mol

Exact Mass：

343.11769003 g/mol

Characteristics

PSA：

92.2 Å²

Computed Properties

Molecular Weight:343.5
XLogP3:5.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:343.11769003
Monoisotopic Mass:343.11769003
Topological Polar Surface Area:92.2
Heavy Atom Count:23
Complexity:408
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-butyl-13-methylsulfanyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene

Basic Attributes
Characteristics
Computed Properties

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