 Home > Encyclopedia > 3-[(E)-3-chlorobut-2-enyl]sulfanyl-5-ethyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

3-[(E)-3-chlorobut-2-enyl]sulfanyl-5-ethyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

3-[(E)-3-chlorobut-2-enyl]sulfanyl-5-ethyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene structure

CAS No:
488715-61-3
Formula:
C17H21ClN2OS2
Chemical Name:
3-[(E)-3-chlorobut-2-enyl]sulfanyl-5-ethyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Synonyms:
ZINC2336474;STK546385;AKOS005474872;4-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine;488715-61-3

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3-[(E)-3-chlorobut-2-enyl]sulfanyl-5-ethyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene Basic Attributes

Molecular Weight：

368.9 g/mol

Exact Mass：

368.0783833 g/mol

Characteristics

PSA：

88.6 Å²

Computed Properties

Molecular Weight:368.9
XLogP3:4.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:368.0783833
Monoisotopic Mass:368.0783833
Topological Polar Surface Area:88.6
Heavy Atom Count:23
Complexity:460
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(E)-3-chlorobut-2-enyl]sulfanyl-5-ethyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

Basic Attributes
Characteristics
Computed Properties

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