3-[(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]-N-(4-ethoxybenzyl)propanamide
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3-[(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]-N-(4-ethoxybenzyl)propanamide
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CAS No:
352657-83-1
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Formula:
C26H31N3O4S2
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Chemical Name:
3-[(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]-N-(4-ethoxybenzyl)propanamide
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Synonyms:
3-[(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]-N-(4-ethoxybenzyl)propanamide;Oprea1_559933;ZINC984973;STK700867;AKOS005521762;MCULE-9989132384;AJ-292/13049084;3-{[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}-N-(4-ethoxybenzyl)propanamide
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CAS No:
3-[(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]-N-(4-ethoxybenzyl)propanamide Basic Attributes
513.67204
513.176
Computed Properties
Molecular Weight:513.7
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:513.17559883
Monoisotopic Mass:513.17559883
Topological Polar Surface Area:134
Heavy Atom Count:35
Complexity:812
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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