4-isothiocyanato-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
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![4-isothiocyanato-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/69db69bdbae041f8913dceecfeab6fed.png "4-isothiocyanato-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene")
4-isothiocyanato-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
structure -
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CAS No:
149818-12-2
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Formula:
C17H14N2S
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Chemical Name:
4-isothiocyanato-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
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Synonyms:
3-isothiocyanato-5-methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5,10-imine;3-isothiocyanato-5-methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5,10-imine, (R)-isomer;3-NCS-dizocilpine;MK-801 3-isothiocyanate;MK801-NCS-3;149818-12-2;3-Ncs-dizocilpine;MK801-Ncs-3;MK-801 3-isothiocyanate;DTXSID70933755;3-Isothiocyanato-5-methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5,10-imine;3-Isothiocyanato-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene
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CAS No:
4-isothiocyanato-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene Basic Attributes
278.4 g/mol
278.08776963 g/mol
Computed Properties
Molecular Weight:278.4
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:278.08776963
Monoisotopic Mass:278.08776963
Topological Polar Surface Area:56.5
Heavy Atom Count:20
Complexity:444
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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