[2-(2,5-difluoroanilino)-2-oxoethyl] 5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxylate
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[2-(2,5-difluoroanilino)-2-oxoethyl] 5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxylate
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CAS No:
787559-83-5
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Formula:
C21H19F2N3O5S
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Chemical Name:
[2-(2,5-difluoroanilino)-2-oxoethyl] 5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxylate
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Synonyms:
ZINC3377640;AKOS033723838;MCULE-9837452124;Z19986634;[(2,5-difluorophenyl)carbamoyl]methyl 8,8-dioxo-8lambda6-thia-1,9-diazatricyclo[8.5.0.0^{2,7}]pentadeca-2(7),3,5,9-tetraene-5-carboxylate;787559-83-5
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CAS No:
[2-(2,5-difluoroanilino)-2-oxoethyl] 5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxylate Basic Attributes
463.5 g/mol
463.10134821 g/mol
Computed Properties
Molecular Weight:463.5
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:463.10134821
Monoisotopic Mass:463.10134821
Topological Polar Surface Area:114
Heavy Atom Count:32
Complexity:862
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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