7-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2-methoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one,methanesulfonic acid
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![7-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2-methoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one,methanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7122707985fe43579fda8e4ce47870f4.png "7-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2-methoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one,methanesulfonic acid")
7-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2-methoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one,methanesulfonic acid
structure -
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CAS No:
149539-01-5
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Formula:
C31H41ClN2O8S2
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Chemical Name:
7-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2-methoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one,methanesulfonic acid
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CAS No:
7-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2-methoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one,methanesulfonic acid Basic Attributes
669.24900
668.1992863 g/mol
Drug Information
1-((4-chlorophenyl-phenyl)methyl)-4-((7-methoxy-5-isopropyl-2,4,6-cycloheptatrien-1-one)-2-methyl)piperazine
Computed Properties
Molecular Weight:669.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:668.1992863
Monoisotopic Mass:668.1992863
Topological Polar Surface Area:158
Heavy Atom Count:44
Complexity:873
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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