(2S,4R)-N-ethyl-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-7-carbothioamide
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![(2S,4R)-N-ethyl-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-7-carbothioamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/04b249dd0d7043409661e8ea77474271.png "(2S,4R)-N-ethyl-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-7-carbothioamide")
(2S,4R)-N-ethyl-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-7-carbothioamide
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CAS No:
1212336-39-4
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Formula:
C13H19N3S
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Chemical Name:
(2S,4R)-N-ethyl-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-7-carbothioamide
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Synonyms:
NPD5175;ZINC2099567;STL526886;AKOS030494123;MCULE-9464498062;(3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide;1212336-39-4
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CAS No:
(2S,4R)-N-ethyl-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-7-carbothioamide Basic Attributes
249.38 g/mol
249.12996879 g/mol
Computed Properties
Molecular Weight:249.38
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:249.12996879
Monoisotopic Mass:249.12996879
Topological Polar Surface Area:61.9
Heavy Atom Count:17
Complexity:355
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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