 Home > Encyclopedia > 3,8-bis[[(Z)-3-chlorobut-2-enyl]sulfanyl]-19-thia-2,4,5,7,9,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene

3,8-bis[[(Z)-3-chlorobut-2-enyl]sulfanyl]-19-thia-2,4,5,7,9,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene

3,8-bis[[(Z)-3-chlorobut-2-enyl]sulfanyl]-19-thia-2,4,5,7,9,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene structure

CAS No:
487025-25-2
Formula:
C20H20Cl2N6S3
Chemical Name:
3,8-bis[[(Z)-3-chlorobut-2-enyl]sulfanyl]-19-thia-2,4,5,7,9,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene
Synonyms:
C20H20Cl2N6S3;STK937542;AKOS005666555;3,7-bis{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine;487025-25-2

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3,8-bis[[(Z)-3-chlorobut-2-enyl]sulfanyl]-19-thia-2,4,5,7,9,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene Basic Attributes

Molecular Weight：

511.5 g/mol

Exact Mass：

510.0288636 g/mol

Characteristics

PSA：

140 Å²

Computed Properties

Molecular Weight:511.5
XLogP3:5.8
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:510.0288636
Monoisotopic Mass:510.0288636
Topological Polar Surface Area:140
Heavy Atom Count:31
Complexity:727
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,8-bis[[(Z)-3-chlorobut-2-enyl]sulfanyl]-19-thia-2,4,5,7,9,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene

Basic Attributes
Characteristics
Computed Properties

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