 Home > Encyclopedia > 13-[(Z)-3-chlorobut-2-enyl]sulfanyl-8-(2-methylpropyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene

13-[(Z)-3-chlorobut-2-enyl]sulfanyl-8-(2-methylpropyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene

13-[(Z)-3-chlorobut-2-enyl]sulfanyl-8-(2-methylpropyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene structure

CAS No:
371119-51-6
Formula:
C21H24ClN3S2
Chemical Name:
13-[(Z)-3-chlorobut-2-enyl]sulfanyl-8-(2-methylpropyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene
Synonyms:
C21H24ClN3S2;ZINC1818405;STK721394;AKOS005530005;371119-51-6;8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

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13-[(Z)-3-chlorobut-2-enyl]sulfanyl-8-(2-methylpropyl)-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：

418.0 g/mol

Exact Mass：

417.1100178 g/mol

Characteristics

PSA：

92.2 Å²

Computed Properties

Molecular Weight:418.0
XLogP3:7.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:417.1100178
Monoisotopic Mass:417.1100178
Topological Polar Surface Area:92.2
Heavy Atom Count:27
Complexity:544
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 13-[(Z)-3-chlorobut-2-enyl]sulfanyl-8-(2-methylpropyl)-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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