3-[[4,4-dimethyl-8-(2-methylpropyl)-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]amino]propan-1-ol
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![3-[[4,4-dimethyl-8-(2-methylpropyl)-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]amino]propan-1-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/42b28bd39bc3486b8a64374f30397c09.png "3-[[4,4-dimethyl-8-(2-methylpropyl)-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]amino]propan-1-ol")
3-[[4,4-dimethyl-8-(2-methylpropyl)-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]amino]propan-1-ol
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CAS No:
372090-02-3
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Formula:
C21H28N4O2S
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Chemical Name:
3-[[4,4-dimethyl-8-(2-methylpropyl)-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]amino]propan-1-ol
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Synonyms:
ZINC2272706;CCG-23940;STK830126;AKOS001679186;MCULE-8301581623;EU-0049370;SR-01000085466;SR-01000085466-1;3-[(5-isobutyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino]propan-1-ol;3-{[2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]amino}propan-1-ol;372090-02-3
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CAS No:
3-[[4,4-dimethyl-8-(2-methylpropyl)-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]amino]propan-1-ol Basic Attributes
400.5 g/mol
400.19329732 g/mol
Computed Properties
Molecular Weight:400.5
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:400.19329732
Monoisotopic Mass:400.19329732
Topological Polar Surface Area:108
Heavy Atom Count:28
Complexity:535
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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