N-(12,12-dimethyl-3-oxo-5-pentyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)-4-nitrobenzamide
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![N-(12,12-dimethyl-3-oxo-5-pentyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)-4-nitrobenzamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/276b89823c0749538603b33f25b1a881.png "N-(12,12-dimethyl-3-oxo-5-pentyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)-4-nitrobenzamide")
N-(12,12-dimethyl-3-oxo-5-pentyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)-4-nitrobenzamide
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CAS No:
372084-31-6
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Formula:
C23H26N4O5S
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Chemical Name:
N-(12,12-dimethyl-3-oxo-5-pentyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)-4-nitrobenzamide
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Synonyms:
SMR000211191;MLS000587132;N-(6,6-Dimethyl-4-oxo-2-pentyl-5,8-dihydro-4H,6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-nitro-benzamide;MLS003901943;CHEMBL1342662;REGID_for_CID_1897922;HMS2596F12;HMS3382P08;ZINC2272268;STL326018;AKOS022105477;MCULE-7450728756;372084-31-6;N-(6,6-dimethyl-4-oxo-2-pentyl-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl)-4-nitrobenzamide
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CAS No:
N-(12,12-dimethyl-3-oxo-5-pentyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)-4-nitrobenzamide Basic Attributes
470.5 g/mol
470.16239112 g/mol
Computed Properties
Molecular Weight:470.5
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:470.16239112
Monoisotopic Mass:470.16239112
Topological Polar Surface Area:145
Heavy Atom Count:33
Complexity:805
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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