Basic information
- CAS
88351-77-3- Standard SMILES
CCOC(=O)c1ccc(NC(=O)c2cccc(NCn3c(=O)oc4ccccc43)c2)cc1.O- InChIKey
XGSQOXKMTIEZNV-UHFFFAOYSA-N- Molecular formula
- C24H23N3O6
- Average molar mass
- 449.5 g/mol
- Monoisotopic mass
- 449.15868546
Names & identifiers
- Preferred name
- Benzoic acid, 4-((4-(((2-oxo-3(2H)-benzoxazolyl)methyl)amino)benzoyl)amino)-, ethyl ester, hydrate
- IUPAC
- ethyl 4-[[3-[(2-oxo-1,3-benzoxazol-3-yl)methylamino]benzoyl]amino]benzoate;hydrate
Names & synonyms
88351-77-3Benzoic acid, 4-((4-(((2-oxo-3(2H)-benzoxazolyl)methyl)amino)benzoyl)amino)-, ethyl ester, hydrateDTXSID702369954-((4-(((2-Oxo-3(2H)-benzoxazolyl)methyl)amino)benzoyl)amino)benzoic acid ethyl ester hydrateRefChem:327325DTXCID00159486Ethyl 4-(3-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzamido)benzoate--water (1/1)
Database identifiers
- CAS
88351-77-3- PubChem CID
- 55797
- DTXSID
DTXSID70236995
Properties
Computed structural properties
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 679
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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