 Home > Encyclopedia > 12,12-dimethyl-4-(4-methylphenyl)-5-prop-2-enylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

12,12-dimethyl-4-(4-methylphenyl)-5-prop-2-enylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

12,12-dimethyl-4-(4-methylphenyl)-5-prop-2-enylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure

CAS No:
351006-73-0
Formula:
C21H22N2O2S2
Chemical Name:
12,12-dimethyl-4-(4-methylphenyl)-5-prop-2-enylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
6,6-dimethyl-3-(4-methylphenyl)-2-(prop-2-en-1-ylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;ZINC2266321;STK042456;AKOS005383764;MCULE-4109601550;351006-73-0

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12,12-dimethyl-4-(4-methylphenyl)-5-prop-2-enylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes

Molecular Weight：

398.5 g/mol

Exact Mass：

398.11227030 g/mol

Characteristics

PSA：

95.4 Å²

Computed Properties

Molecular Weight:398.5
XLogP3:4.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:398.11227030
Monoisotopic Mass:398.11227030
Topological Polar Surface Area:95.4
Heavy Atom Count:27
Complexity:628
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 12,12-dimethyl-4-(4-methylphenyl)-5-prop-2-enylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

Basic Attributes
Characteristics
Computed Properties

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