2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fe5751d6d55b4eb9b5dfd6d24547157c.png "2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
732994-20-6
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Formula:
C17H13ClF3N3OS2
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Chemical Name:
2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
ZINC3303612;AKOS033506743;MCULE-4017759242;Z16522993;5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;732994-20-6
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CAS No:
2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
431.9 g/mol
431.0140666 g/mol
Computed Properties
Molecular Weight:431.9
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:431.0140666
Monoisotopic Mass:431.0140666
Topological Polar Surface Area:108
Heavy Atom Count:27
Complexity:621
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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