AC1O6TP9
methyl 4-[(Z)-[3-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate
Also Known As: F1063-1472|(Z)-methyl 4-((3-(6-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-6-oxohexyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzoate|METHYL 4-{[(5Z)-3-{5-[(5-METHYL-1,3,4-THIADIAZOL-2-YL)CARBAMOYL]PENTYL}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}BENZOATE|methyl 4-[(Z)-[3-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate|methyl 4-[(3-{5-[N-(5-methyl(1,3,4-thiadiazol-2-yl))carbamoyl]pentyl}-4-oxo-2- thioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate|methyl p-[(Z)-{4-oxo-3-[5-(N-5-methyl-1,3,4-thiadiazol-2-ylcarbamoyl)pentyl]-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]benzoate
| Molecular Formula | C21H22N4O4S3 |
|---|---|
| Molecular Weight | 490.08032 g/mol |
| LogP | 4.03342 |
| Topological Polar Surface Area | 101.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.08032 |
| Monoisotopic Mass | 490.08032 |
| Heavy Atoms | 32 |
| Complexity | 1049.5691 |
Chemical Identifiers
| CAS Number | 613225-64-2 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CCCCCN2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)OC)/SC2=S |
Product Overview
AC1O6TP9 (CAS 613225-64-2), with molecular formula C21H22N4O4S3 and molecular weight 490.08032 g/mol. IUPAC: methyl 4-[(Z)-[3-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate.