3-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanoic acid
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![3-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6cdc8af8d60f47e39e0aeb6b2e50b66b.png "3-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanoic acid")
3-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanoic acid
structure -
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CAS No:
372154-83-1
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Formula:
C20H20N2O4S2
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Chemical Name:
3-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanoic acid
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Synonyms:
ZINC2274538;STK525842;AKOS005459462;MCULE-2745857488;3-[(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid;372154-83-1
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CAS No:
3-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanoic acid Basic Attributes
416.5 g/mol
416.08644947 g/mol
Computed Properties
Molecular Weight:416.5
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:416.08644947
Monoisotopic Mass:416.08644947
Topological Polar Surface Area:133
Heavy Atom Count:28
Complexity:663
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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