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

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

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

CAS No:
844458-25-9
Formula:
C23H28N2OS3
Chemical Name:
12,12-dimethyl-3-(3-phenylpropylsulfanyl)-5-propan-2-ylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Synonyms:
ZINC2402998;STL342658;AKOS022100081;MCULE-6939901361;6,6-dimethyl-4-[(3-phenylpropyl)sulfanyl]-2-(propan-2-ylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine;844458-25-9

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

Molecular Weight：

444.7 g/mol

Exact Mass：

444.13637704 g/mol

Characteristics

PSA：

114 Å²

Computed Properties

Molecular Weight:444.7
XLogP3:6.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:444.13637704
Monoisotopic Mass:444.13637704
Topological Polar Surface Area:114
Heavy Atom Count:29
Complexity:526
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 12,12-dimethyl-3-(3-phenylpropylsulfanyl)-5-propan-2-ylsulfanyl-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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