N-(3-methoxypropyl)-4,4-dimethyl-8-propan-2-yl-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-amine
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![N-(3-methoxypropyl)-4,4-dimethyl-8-propan-2-yl-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-amine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f65c8f50f7e24ec5b165663268c26ed4.png "N-(3-methoxypropyl)-4,4-dimethyl-8-propan-2-yl-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-amine")
N-(3-methoxypropyl)-4,4-dimethyl-8-propan-2-yl-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-amine
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CAS No:
845990-85-4
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Formula:
C21H28N4O2S
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Chemical Name:
N-(3-methoxypropyl)-4,4-dimethyl-8-propan-2-yl-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-amine
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Synonyms:
ZINC2420146;STL304517;AKOS022113859;MCULE-6417326797;845990-85-4;N-(3-methoxypropyl)-2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
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CAS No:
N-(3-methoxypropyl)-4,4-dimethyl-8-propan-2-yl-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-amine Basic Attributes
400.5 g/mol
400.19329732 g/mol
Computed Properties
Molecular Weight:400.5
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:400.19329732
Monoisotopic Mass:400.19329732
Topological Polar Surface Area:97.4
Heavy Atom Count:28
Complexity:535
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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