2-[[8-(furan-2-yl)-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]-methylamino]ethanol
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![2-[[8-(furan-2-yl)-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]-methylamino]ethanol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1172010d81514bb9b6a0c604c966a7d9.png "2-[[8-(furan-2-yl)-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]-methylamino]ethanol")
2-[[8-(furan-2-yl)-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]-methylamino]ethanol
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CAS No:
846581-77-9
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Formula:
C21H22N4O3S
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Chemical Name:
2-[[8-(furan-2-yl)-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]-methylamino]ethanol
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Synonyms:
ZINC2412331;STL304551;AKOS022110695;MCULE-3322569637;2-{[5-(furan-2-yl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl](methyl)amino}ethanol;846581-77-9
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CAS No:
2-[[8-(furan-2-yl)-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]-methylamino]ethanol Basic Attributes
410.5 g/mol
410.14126175 g/mol
Computed Properties
Molecular Weight:410.5
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:410.14126175
Monoisotopic Mass:410.14126175
Topological Polar Surface Area:113
Heavy Atom Count:29
Complexity:596
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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