Basic information
- CAS
852956-89-9- Standard SMILES
CC1(C)NC(=O)N(CC(=O)Nc2ccc(-n3cnnn3)cc2)C1=O- InChIKey
NNQGJMOQXLUMCU-UHFFFAOYSA-N- Molecular formula
- C14H15N7O3
- Average molar mass
- 329.31 g/mol
- Monoisotopic mass
- 329.12363737
Names & identifiers
- Preferred name
- 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
- IUPAC
- 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
Names & synonyms
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamideMLS002251790CHEMBL1451092DTXSID401331933HMS3092D18AKOS033967945852956-89-9SMR001314168Z265522102-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(1H-tetrazol-1-yl)phenyl]acetamide
Database identifiers
- CAS
852956-89-9- PubChem CID
- 4846985
- DTXSID
DTXSID401331933- ChEMBL
CHEMBL1451092
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 530
Experimental & physicochemical properties
Solubility38.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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