pentyl 2-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate
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pentyl 2-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate
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CAS No:
316359-23-6
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Formula:
C21H28N2O4S2
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Chemical Name:
pentyl 2-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate
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Synonyms:
ChemDiv1_006265;HMS604M17;ZINC2183019;STL307822;AKOS000549444;MCULE-1161312147;AJ-292/12676546;SR-01000454661;SR-01000454661-1;316359-23-6;pentyl [(3-allyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate;pentyl {[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
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CAS No:
pentyl 2-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate Basic Attributes
436.6 g/mol
436.14904973 g/mol
Computed Properties
Molecular Weight:436.6
XLogP3:4.5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:436.14904973
Monoisotopic Mass:436.14904973
Topological Polar Surface Area:122
Heavy Atom Count:29
Complexity:667
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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