2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]acetic acid
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![2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/745443bbd95b4f1b9e7fffd3bf55fbdc.png "2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]acetic acid")
2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]acetic acid
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CAS No:
303051-29-8
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Formula:
C13H15N3O3S2
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Chemical Name:
2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]acetic acid
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Synonyms:
MLS001210696;CHEMBL1550473;HMS2843I23;ZINC2314927;STK700472;AKOS000547935;MCULE-3792090468;SMR000513823;SR-01000315860;SR-01000315860-1;(4-Amino-6,6-dimethyl-5,8-dihydro-6H-7-oxa-9-thia-1,3-diaza-fluoren-2-ylsulfanyl)-acetic acid;[(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid;303051-29-8
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CAS No:
2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]acetic acid Basic Attributes
325.4 g/mol
325.05548370 g/mol
Computed Properties
Molecular Weight:325.4
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:325.05548370
Monoisotopic Mass:325.05548370
Topological Polar Surface Area:152
Heavy Atom Count:21
Complexity:424
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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