4-methoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
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![4-methoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f9d0f392343a49079e5fb672ddff2749.png "4-methoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide")
4-methoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
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CAS No:
333739-01-8
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Formula:
C21H16N6O4S
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Chemical Name:
4-methoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
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Synonyms:
4-methoxy-3-nitro-N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide;ZINC2064378;STK048665;AKOS000464493;MCULE-4113556456;ST50302563;AG-690/15430393;N-{3-nitro-4-methoxybenzoyl}-N'-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)thiourea;(4-methoxy-3-nitrophenyl)-N-{[(2-phenyl(2-hydrobenzotriazol-5-yl))amino]thioxo methyl}carboxamide;333739-01-8
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CAS No:
4-methoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Basic Attributes
448.5 g/mol
448.09537419 g/mol
Computed Properties
Molecular Weight:448.5
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:448.09537419
Monoisotopic Mass:448.09537419
Topological Polar Surface Area:159
Heavy Atom Count:32
Complexity:700
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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