AC1NM85E
8,8-dimethyl-11-(4-nitrophenyl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
Also Known As: 8,8-dimethyl-6-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione|2,2-dimethyl-5-(4-nitrophenyl)-8,12-dithia-5,10-diazatricyclo[7.3.0.0<3,7>]dod ec-1(9)-ene-4,6,11-trione|8,8-dimethyl-6-(4-nitrophenyl)-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione
| Molecular Formula | C16H13N3O5S2 |
|---|---|
| Molecular Weight | 391.02966 g/mol |
| LogP | 2.2861 |
| Topological Polar Surface Area | 113.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.02966 |
| Monoisotopic Mass | 391.02966 |
| Heavy Atoms | 26 |
| Complexity | 1007.6377 |
Chemical Identifiers
| CAS Number | 868237-59-6 |
|---|---|
| SMILES | CC1(C2C(C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])SC4=C1SC(=O)N4)C |
Product Overview
AC1NM85E (CAS 868237-59-6), with molecular formula C16H13N3O5S2 and molecular weight 391.02966 g/mol. IUPAC: 8,8-dimethyl-11-(4-nitrophenyl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione.
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