 Home > Encyclopedia > 3-allyl-2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

3-allyl-2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

3-allyl-2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one structure

CAS No:
315676-55-2
Formula:
C22H20N2O4S2
Chemical Name:
3-allyl-2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Synonyms:
3-allyl-2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;Oprea1_254993;ZINC628150;STL307589;AKOS001051336;MCULE-4200452453;EU-0042460;ST50049312;AF-399/15335167;SR-01000471282

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3-allyl-2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one Basic Attributes

Molecular Weight：

440.5352

Exact Mass：

440.086

Characteristics

PSA：

122

XLogP3：

4.9

Computed Properties

Molecular Weight:440.5
XLogP3:4.9
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:440.08644947
Monoisotopic Mass:440.08644947
Topological Polar Surface Area:122
Heavy Atom Count:30
Complexity:745
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-allyl-2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Basic Attributes
Characteristics
Computed Properties

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