2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ee3599a5e41c44d4bd3f0623f11b3b6c.png "2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
746615-42-9
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Formula:
C21H25N3O3S
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Chemical Name:
2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
ZINC33379598;AKOS034349042;MCULE-5729469311;Z44451064;5-({[(3,4-dimethoxyphenyl)methyl](methyl)amino}methyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;746615-42-9
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CAS No:
2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
399.5 g/mol
399.16166284 g/mol
Computed Properties
Molecular Weight:399.5
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:399.16166284
Monoisotopic Mass:399.16166284
Topological Polar Surface Area:91.4
Heavy Atom Count:28
Complexity:601
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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