ethyl 4-[(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]butanoate
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ethyl 4-[(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]butanoate
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CAS No:
844836-93-7
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Formula:
C17H23N3O3S2
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Chemical Name:
ethyl 4-[(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]butanoate
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Synonyms:
ZINC2410782;STL343285;AKOS022107916;MCULE-7910713751;844836-93-7;ethyl 4-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate
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CAS No:
ethyl 4-[(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]butanoate Basic Attributes
381.5 g/mol
381.11808395 g/mol
Computed Properties
Molecular Weight:381.5
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:381.11808395
Monoisotopic Mass:381.11808395
Topological Polar Surface Area:141
Heavy Atom Count:25
Complexity:480
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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