11-butyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one
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![11-butyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/adb0fbc981104b10840657756e7c58e8.png "11-butyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one")
11-butyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one
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CAS No:
380467-88-9
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Formula:
C13H16N2OS2
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Chemical Name:
11-butyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one
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Synonyms:
380467-88-9;11-Butyl-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one;11-butyl-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one;Oprea1_433921;ZINC6016342;STK996270;AKOS000115798;MCULE-6287408344;NE56844;EN300-03145;Z55666215;3-butyl-2-sulfanyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one;11-butyl-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one;11-butyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one
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CAS No:
11-butyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one Basic Attributes
280.4 g/mol
280.07040549 g/mol
Computed Properties
Molecular Weight:280.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:280.07040549
Monoisotopic Mass:280.07040549
Topological Polar Surface Area:92.7
Heavy Atom Count:18
Complexity:374
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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