2-[[5-(2,4-dimethylanilino)-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-(2,4-dimethylanilino)-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/20220812/977ebe7182914e1080283706992ebcfe.png "2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-[[5-(2,4-dimethylanilino)-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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CAS No:
744226-41-3
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Formula:
C21H21N5OS3
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Chemical Name:
2-[[5-(2,4-dimethylanilino)-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:
ZINC2633130;AKOS033741093;MCULE-2002320681;Z20271508;5-[({5-[(2,4-dimethylphenyl)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;744226-41-3
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CAS No:
2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
455.6 g/mol
455.09082383 g/mol
Computed Properties
Molecular Weight:455.6
XLogP3:5.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:455.09082383
Monoisotopic Mass:455.09082383
Topological Polar Surface Area:161
Heavy Atom Count:30
Complexity:679
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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