2-[2-(2-hydroxyethylamino)ethylsulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-[2-(2-hydroxyethylamino)ethylsulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8af63661070c42b88ec779a2ffe1235b.png "2-[2-(2-hydroxyethylamino)ethylsulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-[2-(2-hydroxyethylamino)ethylsulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
731775-99-8
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Formula:
C21H25N3O3S2
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Chemical Name:
2-[2-(2-hydroxyethylamino)ethylsulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
MLS001172389;CHEMBL1596983;HMS2889A24;ZINC3318532;AKOS034467842;MCULE-7870290932;SMR000589664;Z56952961;5-({2-[(2-hydroxyethyl)amino]ethyl}sulfanyl)-4-(4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;731775-99-8
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CAS No:
2-[2-(2-hydroxyethylamino)ethylsulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
431.6 g/mol
431.13373402 g/mol
Computed Properties
Molecular Weight:431.6
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:431.13373402
Monoisotopic Mass:431.13373402
Topological Polar Surface Area:128
Heavy Atom Count:29
Complexity:598
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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