2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-[(1-phenyltetrazol-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/20220811/16efe0d496104e6b852cd11e31ca1c5d.png "2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
501349-29-7
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Formula:
C18H16N6OS2
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Chemical Name:
2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
ZINC3267849;AKOS001061698;MCULE-7613183108;Z19656497;5-{[(1-phenyl-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;501349-29-7
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CAS No:
2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
396.5 g/mol
396.08270150 g/mol
Computed Properties
Molecular Weight:396.5
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:396.08270150
Monoisotopic Mass:396.08270150
Topological Polar Surface Area:139
Heavy Atom Count:27
Complexity:598
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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