2-Ncs-dizocilpine
5-isothiocyanato-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
Also Known As: 2-Ncs-dizocilpine|MK-801 2-isothiocyanate|2-Isothiocyanato-5-methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5,10-imine|5h-dibenzo[a,d]cyclohepten-5,10-imine, 10,11-dihydro-2-isothiocyanato-5-methyl-|2-isothiocyanato-5-methyl-10,11-dihydro-5H-dibenzo cyclohepten-5,10-imine|2-isothiocyanato-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene|5-isothiocyanato-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
| Molecular Formula | C17H14N2S |
|---|---|
| Molecular Weight | 278.08777 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.08777 |
| Monoisotopic Mass | 278.08777 |
| Heavy Atoms | 20 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 178979-75-4 |
|---|---|
| SMILES | CC12C3=C(CC(N1)C4=CC=CC=C24)C=C(C=C3)N=C=S |
| InChIKey | SAPCJZOHSAJPDX-UHFFFAOYSA-N |
Product Overview
2-Ncs-dizocilpine (CAS 178979-75-4), with molecular formula C17H14N2S and molecular weight 278.08777 g/mol. IUPAC: 5-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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