7-(3-chlorophenyl)-12,12-dimethyl-3-sulfanylidene-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one
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![7-(3-chlorophenyl)-12,12-dimethyl-3-sulfanylidene-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4470f0db57084840b39d0570641cc0cf.png "7-(3-chlorophenyl)-12,12-dimethyl-3-sulfanylidene-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one")
7-(3-chlorophenyl)-12,12-dimethyl-3-sulfanylidene-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one
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CAS No:
578721-15-0
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Formula:
C18H15ClN4O2S2
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Chemical Name:
7-(3-chlorophenyl)-12,12-dimethyl-3-sulfanylidene-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one
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Synonyms:
C18H15ClN4O2S2;ZINC2389370;STK720452;AKOS005529202;MCULE-9151433696;4-(3-chlorophenyl)-7,7-dimethyl-1-sulfanyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one;578721-15-0
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CAS No:
7-(3-chlorophenyl)-12,12-dimethyl-3-sulfanylidene-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one Basic Attributes
418.9 g/mol
418.0324958 g/mol
Computed Properties
Molecular Weight:418.9
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:418.0324958
Monoisotopic Mass:418.0324958
Topological Polar Surface Area:118
Heavy Atom Count:27
Complexity:718
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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