Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, p-bromophenyl ester

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Basic information

CAS: 107811-25-6
Standard SMILES: CC(C)c1nnc(NC(=O)CCC(=O)Oc2ccc(Br)cc2)s1
InChIKey: RSZHPDHFKOBOHC-UHFFFAOYSA-N
Molecular formula: C15H16BrN3O3S
Average molar mass: 398.3 g/mol
Monoisotopic mass: 397.00958

Names & identifiers

Preferred name: Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, p-bromophenyl ester
IUPAC: (4-bromophenyl) 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate

Names & synonyms

Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, p-bromophenyl ester107811-25-6DTXSID70148266N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)succinamic acid p-bromophenyl esterButanoic acid, 4-((5-(1-methylethyl)-1,3,4-thiadiazol-2-yl)amino)-4-oxo-, 4-bromophenyl esterRefChem:382346DTXCID30707574-Bromophenyl 4-oxo-4-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}butanoate

Database identifiers

CAS: 107811-25-6
PubChem CID: 3065360
DTXSID: DTXSID70148266

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 109 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 23
Formal charge: 0
Complexity: 417

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Compound notes

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