4-phenyl-8-sulfanylidene-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,6-dien-3-one
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![4-phenyl-8-sulfanylidene-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,6-dien-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/12f6b830d2e5460484e34210610faf02.png "4-phenyl-8-sulfanylidene-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,6-dien-3-one")
4-phenyl-8-sulfanylidene-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,6-dien-3-one
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CAS No:
721908-07-2
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Formula:
C16H16N4OS
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Chemical Name:
4-phenyl-8-sulfanylidene-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,6-dien-3-one
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Synonyms:
721908-07-2;2-phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one;4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one;4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0^{2,6}]tetradeca-1,5,7-trien-3-one;4-phenyl-8-sulfanylidene-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,6-dien-3-one;SMR000152107;MLS000564920;CHEMBL1427966;CHEBI:116800;HMS2438H14;ZINC12485387;AKOS034462572;MCULE-5976383750;NE12628;EN300-03292;Q27203019;Z56869427;4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0?,?]tetradeca-1,5,7-trien-3-one
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CAS No:
Description
2-phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one is a ring assembly and a member of pyrazoles.
4-phenyl-8-sulfanylidene-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,6-dien-3-one Basic Attributes
312.4 g/mol
312.10448232 g/mol
Computed Properties
Molecular Weight:312.4
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:312.10448232
Monoisotopic Mass:312.10448232
Topological Polar Surface Area:80
Heavy Atom Count:22
Complexity:577
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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