2-[(4-benzyl-12,12-dimethyl-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-[(4-benzyl-12,12-dimethyl-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/20220811/3949884ca3aa41efbc8ce08129b6da8b.png "2-[(4-benzyl-12,12-dimethyl-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-[(4-benzyl-12,12-dimethyl-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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CAS No:
351341-47-4
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Formula:
C20H20N2O4S2
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Chemical Name:
2-[(4-benzyl-12,12-dimethyl-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:
ChemDiv1_006091;HMS604E19;ZINC2240069;STK045288;AKOS001775824;CCG-124893;MCULE-1740702794;EU-0040635;SR-01000454670;SR-01000454670-1;[(3-benzyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid;[(3-benzyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid;351341-47-4
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CAS No:
2-[(4-benzyl-12,12-dimethyl-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
416.5 g/mol
416.08644947 g/mol
Computed Properties
Molecular Weight:416.5
XLogP3:3.3
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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