2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
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![2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6939178d90c44afc95414e98144e90dd.png "2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide")
2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
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CAS No:
122407-13-0
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Formula:
C20H25Cl2N3OS
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Chemical Name:
2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
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Synonyms:
2-isothiocyanato-4,5-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide;2-isothiocyanato-4,5-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide, (1R-trans) isomer;2-isothiocyanato-4,5-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide, (trans-(+-)) isomer;UPHIT;122407-13-0;UPHIT;DTXSID00924156;2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;2-Isothiocyanato-4,5-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide;2-(4,5-Dichloro-2-isothiocyanatophenyl)-N-methyl-N-[2-(pyrrolidin-1-yl)cyclohexyl]acetamide;Benzeneacetamide, 4,5-dichloro-2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-, (1S-trans)-
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CAS No:
2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide Basic Attributes
426.4 g/mol
425.1095390 g/mol
Drug Information
2-isothiocyanato-4,5-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
Computed Properties
Molecular Weight:426.4
XLogP3:5.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:425.1095390
Monoisotopic Mass:425.1095390
Topological Polar Surface Area:68
Heavy Atom Count:27
Complexity:565
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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