AC1NQ6F7
ethyl 2-[[2-[2-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: benz[c]isochromeno[3,4-g]chromene-5,12-dione|ethyl 2-[[2-[2-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C24H26BrN3O4S3 |
|---|---|
| Molecular Weight | 595.02686 g/mol |
| LogP | 5.3086 |
| Topological Polar Surface Area | 89.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 595.02686 |
| Monoisotopic Mass | 595.02686 |
| Heavy Atoms | 35 |
| Complexity | 1341.7184 |
Chemical Identifiers
| CAS Number | 6249-90-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSCC(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)C |
Product Overview
AC1NQ6F7 (CAS 6249-90-7), with molecular formula C24H26BrN3O4S3 and molecular weight 595.02686 g/mol. IUPAC: ethyl 2-[[2-[2-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
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