 Home > Encyclopedia > 12-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene

12-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene

12-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene structure

CAS No:
497942-89-9
Formula:
C22H18ClN3S2
Chemical Name:
12-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
Synonyms:
STK544259;ZINC13598297;AKOS005473723;497942-89-9;7-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

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12-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene Basic Attributes

Molecular Weight：

424.0 g/mol

Exact Mass：

423.0630676 g/mol

Characteristics

PSA：

92.2 Å²

Computed Properties

Molecular Weight:424.0
XLogP3:6.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:423.0630676
Monoisotopic Mass:423.0630676
Topological Polar Surface Area:92.2
Heavy Atom Count:28
Complexity:582
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 12-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene

Basic Attributes
Characteristics
Computed Properties

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