AC1LY93E
methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate|methyl 2-{[({5-[(3-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate|methyl 2-(2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate|methyl 2-{[({(5Z)-5-[(3-phenylpropanoyl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate
| Molecular Formula | C21H20N4O4S2 |
|---|---|
| Molecular Weight | 456.0926 g/mol |
| LogP | 3.6268 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.0926 |
| Monoisotopic Mass | 456.0926 |
| Heavy Atoms | 31 |
| Complexity | 1056.298 |
Chemical Identifiers
| CAS Number | 533919-07-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3 |
Product Overview
AC1LY93E (CAS 533919-07-2), with molecular formula C21H20N4O4S2 and molecular weight 456.0926 g/mol. IUPAC: methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
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