AC1LXRW0
methyl 4-[[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 11409551|SR-01000304938-1|A3844/0163237|methyl 4-(2-((5-(pyridin-3-yl)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate|methyl 4-[({[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]thio}acetyl)amino]benzoate|methyl 4-[({[5-(pyridin-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetyl)amino]benzoate|METHYL 4-[(2-{[5-(3-PYRIDYL)-1,3,4-THIADIAZOL-2-YL]SULFANYL}ACETYL)AMINO]BENZOATE|methyl 4-[[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C17H14N4O3S2 |
|---|---|
| Molecular Weight | 386.05072 g/mol |
| LogP | 3.1175 |
| Topological Polar Surface Area | 94.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.05072 |
| Monoisotopic Mass | 386.05072 |
| Heavy Atoms | 26 |
| Complexity | 897.88617 |
Chemical Identifiers
| CAS Number | 728014-97-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)C3=CN=CC=C3 |
Product Overview
AC1LXRW0 (CAS 728014-97-9), with molecular formula C17H14N4O3S2 and molecular weight 386.05072 g/mol. IUPAC: methyl 4-[[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate.
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