 Home > Encyclopedia > 12,12-dimethyl-3-[(4-nitrophenyl)methylsulfanyl]-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

12,12-dimethyl-3-[(4-nitrophenyl)methylsulfanyl]-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

12,12-dimethyl-3-[(4-nitrophenyl)methylsulfanyl]-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene structure

CAS No:
585557-59-1
Formula:
C21H23N3O3S3
Chemical Name:
12,12-dimethyl-3-[(4-nitrophenyl)methylsulfanyl]-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Synonyms:
ZINC2392056;STK558115;AKOS005483895;MCULE-7906037169;585557-59-1;6,6-dimethyl-4-[(4-nitrobenzyl)sulfanyl]-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine

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12,12-dimethyl-3-[(4-nitrophenyl)methylsulfanyl]-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene Basic Attributes

Molecular Weight：

461.6 g/mol

Exact Mass：

461.09015512 g/mol

Characteristics

PSA：

160 Å²

Computed Properties

Molecular Weight:461.6
XLogP3:5.8
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:461.09015512
Monoisotopic Mass:461.09015512
Topological Polar Surface Area:160
Heavy Atom Count:30
Complexity:598
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 12,12-dimethyl-3-[(4-nitrophenyl)methylsulfanyl]-5-propylsulfanyl-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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