2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-[[[4-(difluoromethoxy)-3-methoxyphenyl]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/20220811/e87b1ccd9f5746248f18181690eac43f.png "2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
790233-89-5
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Formula:
C21H23F2N3O3S
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Chemical Name:
2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
ZINC33431843;AKOS034349142;MCULE-8375485391;Z44452134;5-[({[4-(difluoromethoxy)-3-methoxyphenyl]methyl}(methyl)amino)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;790233-89-5
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CAS No:
2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
435.5 g/mol
435.14281910 g/mol
Computed Properties
Molecular Weight:435.5
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:435.14281910
Monoisotopic Mass:435.14281910
Topological Polar Surface Area:91.4
Heavy Atom Count:30
Complexity:653
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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