AC1NKI87
N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
Also Known As: (Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-3-methylbutanamide|N-[3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-5,5-dioxo-hexahydro-5lambda*6*-thieno[3,4-d]thiazol-(2Z)-yliden e]-3-methyl-butyramide|N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide|N-(3-homoveratryl-5,5-diketo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-ylidene)-3-methyl-butyramide|N-[(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide|N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-3-methyl-butanamide|N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-ylidene]-3-methylbutanamide
| Molecular Formula | C20H28N2O5S2 |
|---|---|
| Molecular Weight | 440.14395 g/mol |
| LogP | 2.3894 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.14395 |
| Monoisotopic Mass | 440.14395 |
| Heavy Atoms | 29 |
| Complexity | 898.1327 |
Chemical Identifiers
| CAS Number | 896830-02-7 |
|---|---|
| SMILES | CC(C)CC(=O)N=C1N(C2CS(=O)(=O)CC2S1)CCC3=CC(=C(C=C3)OC)OC |
Product Overview
AC1NKI87 (CAS 896830-02-7), with molecular formula C20H28N2O5S2 and molecular weight 440.14395 g/mol. IUPAC: N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide.