2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/96492658353b45cea21c4f8245d6b43a.png "2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
752227-26-2
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Formula:
C19H18N6OS2
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Chemical Name:
2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
ZINC2660720;AKOS033925327;MCULE-8460751700;Z24793995;5-({[1-(3-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;752227-26-2
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CAS No:
2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
410.5 g/mol
410.09835157 g/mol
Computed Properties
Molecular Weight:410.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:410.09835157
Monoisotopic Mass:410.09835157
Topological Polar Surface Area:139
Heavy Atom Count:28
Complexity:634
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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