Molecular Structure:
CAS No.:
81735-48-0
Product Name.:
CCD No.:CCD00243004
Formula:C21 H23 N3 O S . C2 H2 O4
MolWeight:455.533
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| Product Name： | 1-((4,4-DIMETHYL-4H-1,3-BENZOTHIAZIN-2-YL)METHYL)-3-PHENYL-2-PIPERAZIN ONE OXALATE |
| CAS： | 81735-48-0 |
| English Synonyms： | 1-((4,4-DIMETHYL-4H-1,3-BENZOTHIAZIN-2-YL)METHYL)-3-PHENYL-2-PIPERAZIN ONE OXALATE |
| MDL Number.： | MFCD01701784 |
| H bond acceptor： | 4 |
| H bond donor： | 1 |
| Smile： | CC1(c2ccccc2SC(=N1)CN3CCNC(C3=O)c4ccccc4)C.C(=O)(C(=O)O)O |
| InChi： | InChI=1S/C21H23N3OS.C2H2O4/c1-21(2)16-10-6-7-11-17(16)26-18(23-21)14-24-13-12-22-19(20(24)25)15-8-4-3-5-9-15;3-1(4)2(5)6/h3-11,19,22H,12-14H2,1-2H3;(H,3,4)(H,5,6) |
| InChiKey： | InChIKey=NHNZEOPXABIHKI-UHFFFAOYSA-N |
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