2-[(4-bromophenyl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
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![2-[(4-bromophenyl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/267679ba82f44cab8bcdec505ead8661.png "2-[(4-bromophenyl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine")
2-[(4-bromophenyl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
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CAS No:
727718-77-6
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Formula:
C23H21BrN4S2
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Chemical Name:
2-[(4-bromophenyl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
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Synonyms:
ZINC12566028;AKOS034154880;MCULE-7134066622;AB00980356-01;Z31216056;5-{[(4-bromophenyl)sulfanyl]methyl}-N-[(pyridin-2-yl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-amine;727718-77-6
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CAS No:
2-[(4-bromophenyl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Basic Attributes
497.5 g/mol
496.03910 g/mol
Computed Properties
Molecular Weight:497.5
XLogP3:6.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:496.03910
Monoisotopic Mass:496.03910
Topological Polar Surface Area:104
Heavy Atom Count:30
Complexity:547
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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