11-(3-methoxypropyl)-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-(3-methoxypropyl)-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/20220812/0f79f5d80b85445ea84a7cc7c5c8bc69.png "11-(3-methoxypropyl)-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one")
11-(3-methoxypropyl)-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:
565174-25-6
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Formula:
C13H16N2O2S2
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Chemical Name:
11-(3-methoxypropyl)-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:
565174-25-6;11-(3-Methoxypropyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one;ZINC6497780;SBB078048;AKOS005198597;MCULE-7395033073;NE50457;EN300-06017;Z55666252;11-(3-methoxypropyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one;11-(3-methoxypropyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one;11-(3-methoxypropyl)-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one;3-(3-methoxypropyl)-2-sulfanyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4 ,5-b]thiophen-4-one
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CAS No:
11-(3-methoxypropyl)-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one Basic Attributes
296.4 g/mol
296.06532010 g/mol
Computed Properties
Molecular Weight:296.4
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:296.06532010
Monoisotopic Mass:296.06532010
Topological Polar Surface Area:102
Heavy Atom Count:19
Complexity:391
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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