3-(4-phenylpiperazin-1-yl)propyl 3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate;hydrochloride
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3-(4-phenylpiperazin-1-yl)propyl 3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate;hydrochloride
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CAS No:
135818-22-3
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Formula:
C24H31ClN2O4S
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Chemical Name:
3-(4-phenylpiperazin-1-yl)propyl 3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate;hydrochloride
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Synonyms:
CV 5197;CV 5197, hydrochloride, (+)-isomer;CV 5197, hydrochloride, (-)-isomer;CV-5197;methyl-3-hydroxy-4-(3-(4-phenyl-1-piperazinyl)propyl)-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylate hydrochloride;135818-22-3;CV 5197;CV-5197;DTXSID90929155;2-Methyl-3-hydroxy-4-(3-(4-phenyl-1-piperazinyl)propyl)-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylate hydrochloride;2H-1,5-Benzoxathiepin-4-carboxylic acid, 2-Methyl-3-hydroxy-3,4-dihydro-, 4-(3-(4-phenyl-1-piperazinyl)propyl) ester, hydrochloride;3-(4-Phenylpiperazin-1-yl)propyl 3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate--hydrogen chloride (1/1)
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CAS No:
3-(4-phenylpiperazin-1-yl)propyl 3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate;hydrochloride Basic Attributes
479.0 g/mol
478.1693063 g/mol
Computed Properties
Molecular Weight:479.0
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:478.1693063
Monoisotopic Mass:478.1693063
Topological Polar Surface Area:87.5
Heavy Atom Count:32
Complexity:566
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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