AC1NKPOA
5-[[3-(4-chloro-2-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-5-oxopentanoic acid
Also Known As: (Z)-5-((3-(4-chloro-2-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-5-oxopentanoic acid|5-[[3-(4-chloro-2-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-5-oxopentanoic acid|5-{[(2Z)-3-(4-chloro-2-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid
| Molecular Formula | C17H19ClN2O6S2 |
|---|---|
| Molecular Weight | 446.0373 g/mol |
| LogP | 2.2049 |
| Topological Polar Surface Area | 113.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.0373 |
| Monoisotopic Mass | 446.0373 |
| Heavy Atoms | 28 |
| Complexity | 933.5753 |
Chemical Identifiers
| CAS Number | 899397-34-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)Cl)N2C3CS(=O)(=O)CC3SC2=NC(=O)CCCC(=O)O |
Product Overview
AC1NKPOA (CAS 899397-34-3), with molecular formula C17H19ClN2O6S2 and molecular weight 446.0373 g/mol. IUPAC: 5-[[3-(4-chloro-2-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-5-oxopentanoic acid.
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