AC1NKAIJ
2-cyano-N-[3-[2-(4-fluorophenyl)ethyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide
Also Known As: (Z)-2-cyano-N-(3-(4-fluorophenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)acetamide|2-cyano-N-[(2Z)-3-[2-(4-fluorophenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide|2-cyano-N-[3-[2-(4-fluorophenyl)ethyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide|4-{1-[2-(4-fluorophenyl)ethyl]-5,5-dioxo(1,3,4,6,3a,6a-hexahydro-3,5-dithia-1- azapentalen-2-ylidene)}-3-oxo-4-azabutanenitrile
| Molecular Formula | C16H16FN3O3S2 |
|---|---|
| Molecular Weight | 381.0617 g/mol |
| LogP | 1.37888 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.0617 |
| Monoisotopic Mass | 381.0617 |
| Heavy Atoms | 25 |
| Complexity | 846.3711 |
Chemical Identifiers
| CAS Number | 902009-35-2 |
|---|---|
| SMILES | C1C2C(CS1(=O)=O)SC(=NC(=O)CC#N)N2CCC3=CC=C(C=C3)F |
Product Overview
AC1NKAIJ (CAS 902009-35-2), with molecular formula C16H16FN3O3S2 and molecular weight 381.0617 g/mol. IUPAC: 2-cyano-N-[3-[2-(4-fluorophenyl)ethyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide.
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