 Home > Encyclopedia > 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-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-(1,3-benzodioxol-5-ylmethylsulfanyl)-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-(1,3-benzodioxol-5-ylmethylsulfanyl)-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:
488747-91-7
Formula:
C21H22N2O3S2
Chemical Name:
3-(1,3-benzodioxol-5-ylmethylsulfanyl)-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:
ZINC2340845;STK545740;AKOS005474692;MCULE-1849120526;4-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine;488747-91-7

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3-(1,3-benzodioxol-5-ylmethylsulfanyl)-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：

414.5 g/mol

Exact Mass：

414.10718492 g/mol

Characteristics

PSA：

107 Å²

Computed Properties

Molecular Weight:414.5
XLogP3:4.9
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:414.10718492
Monoisotopic Mass:414.10718492
Topological Polar Surface Area:107
Heavy Atom Count:28
Complexity:566
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-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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