2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-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/20220811/548605a4bd8344f186fc9d0ec922e273.png "2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
structure -
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CAS No:
796991-88-3
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Formula:
C20H19N5O2S3
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Chemical Name:
2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
ZINC3341754;AKOS001068755;MCULE-4426387858;Z19600674;5-[({5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;796991-88-3
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CAS No:
2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
457.6 g/mol
457.07008839 g/mol
Computed Properties
Molecular Weight:457.6
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:457.07008839
Monoisotopic Mass:457.07008839
Topological Polar Surface Area:170
Heavy Atom Count:30
Complexity:660
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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