3-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![3-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7c7977b035604ec5be60719a7520b5a0.png "3-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one")
3-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
746643-19-6
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Formula:
C17H17N3O2S2
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Chemical Name:
3-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
ZINC2640546;AKOS033296217;CCG-353040;MCULE-5354718276;Z13720479;4-methyl-5-{[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;746643-19-6
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CAS No:
3-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
359.5 g/mol
359.07621914 g/mol
Computed Properties
Molecular Weight:359.5
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:359.07621914
Monoisotopic Mass:359.07621914
Topological Polar Surface Area:119
Heavy Atom Count:24
Complexity:568
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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