2-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetic acid
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![2-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/41153d444400434ca34382019d36f461.png "2-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetic acid")
2-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetic acid
structure -
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CAS No:
351007-05-1
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Formula:
C17H20N2O4S2
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Chemical Name:
2-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetic acid
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Synonyms:
ZINC2260552;STK722433;AKOS005530741;MCULE-1288956798;ST51044724;{[6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid;2-[6,6-dimethyl-3-(2-methylprop-2-enyl)-4-oxo-3,5,6-trihydro-8H-pyrimidino[5', 4'-4,5]thiopheno[2,3-c]pyran-2-ylthio]acetic acid;351007-05-1
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CAS No:
2-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetic acid Basic Attributes
380.5 g/mol
380.08644947 g/mol
Computed Properties
Molecular Weight:380.5
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:380.08644947
Monoisotopic Mass:380.08644947
Topological Polar Surface Area:133
Heavy Atom Count:25
Complexity:634
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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