4,4-dimethyl-8-(2-methylpropyl)-13-[(E)-3-phenylprop-2-enyl]sulfanyl-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-hexaene
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![4,4-dimethyl-8-(2-methylpropyl)-13-[(E)-3-phenylprop-2-enyl]sulfanyl-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-hexaene structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d111ba1243174e688a339c137d527bf0.png "4,4-dimethyl-8-(2-methylpropyl)-13-[(E)-3-phenylprop-2-enyl]sulfanyl-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-hexaene")
4,4-dimethyl-8-(2-methylpropyl)-13-[(E)-3-phenylprop-2-enyl]sulfanyl-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-hexaene
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CAS No:
799799-13-6
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Formula:
C27H29N3OS2
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Chemical Name:
4,4-dimethyl-8-(2-methylpropyl)-13-[(E)-3-phenylprop-2-enyl]sulfanyl-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-hexaene
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Synonyms:
ZINC2221952;STK721574;AKOS005530468;2,2-dimethyl-5-(2-methylpropyl)-8-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine;799799-13-6
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CAS No:
4,4-dimethyl-8-(2-methylpropyl)-13-[(E)-3-phenylprop-2-enyl]sulfanyl-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-hexaene Basic Attributes
475.7 g/mol
475.17520490 g/mol
Computed Properties
Molecular Weight:475.7
XLogP3:6.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:475.17520490
Monoisotopic Mass:475.17520490
Topological Polar Surface Area:101
Heavy Atom Count:33
Complexity:680
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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