Ethyl 4-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]benzoate

HCID 765830

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Basic information

CAS: 313524-22-0
Standard SMILES: CCOC(=O)c1ccc(NC(=O)c2ccc3nc(N)sc3c2)cc1
InChIKey: ZLXOJFJFEAZMAO-UHFFFAOYSA-N
Molecular formula: C17H15N3O3S
Average molar mass: 341.4 g/mol
Monoisotopic mass: 341.08341252

Names & identifiers

Preferred name: Ethyl 4-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]benzoate
IUPAC: ethyl 4-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]benzoate

Names & synonyms

ethyl 4-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]benzoateOprea1_166790Oprea1_768226DTXSID201187251Ethyl 4-[[(2-amino-6-benzothiazolyl)carbonyl]amino]benzoateAKOS000637172313524-22-0EU-0000793AG-690/09286003SR-01000393891SR-01000393891-1

Database identifiers

CAS: 313524-22-0
PubChem CID: 765830
DTXSID: DTXSID201187251

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 123 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 468

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