2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bcc8579722324befbd645ecd776f4bc5.png "2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
571950-99-7
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Formula:
C21H22N2O5S2
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Chemical Name:
2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
ZINC2633843;AKOS033293718;MCULE-8520787544;Z13674351;5-{[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(2-methoxyethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;571950-99-7
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CAS No:
2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
446.5 g/mol
446.09701415 g/mol
Computed Properties
Molecular Weight:446.5
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:446.09701415
Monoisotopic Mass:446.09701415
Topological Polar Surface Area:153
Heavy Atom Count:30
Complexity:690
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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