3-(4-chloroanilino)-4-(2-nitrophenyl)sulfanyl-2H-isoquinolin-1-one
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3-(4-chloroanilino)-4-(2-nitrophenyl)sulfanyl-2H-isoquinolin-1-one
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CAS No:
379701-38-9
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Formula:
C21H14ClN3O3S
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Chemical Name:
3-(4-chloroanilino)-4-(2-nitrophenyl)sulfanyl-2H-isoquinolin-1-one
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Synonyms:
Oprea1_697695;ZINC3226583;AKOS034457204;MCULE-5848961299;Z56810448;3-[(4-chlorophenyl)amino]-4-[(2-nitrophenyl)sulfanyl]-1,2-dihydroisoquinolin-1-one;379701-38-9
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CAS No:
3-(4-chloroanilino)-4-(2-nitrophenyl)sulfanyl-2H-isoquinolin-1-one Basic Attributes
423.9 g/mol
423.0444402 g/mol
Computed Properties
Molecular Weight:423.9
XLogP3:5.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:423.0444402
Monoisotopic Mass:423.0444402
Topological Polar Surface Area:112
Heavy Atom Count:29
Complexity:660
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 3-(4-chloroanilino)-4-(2-nitrophenyl)sulfanyl-2H-isoquinolin-1-one
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