Basic information
- CAS
878946-37-3- Standard SMILES
O=c1c2ccccc2cnn1Cc1nnc(-c2cccs2)o1- InChIKey
USZQSUBFJOHHQK-UHFFFAOYSA-N- Molecular formula
- C15H10N4O2S
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.05244675
Names & identifiers
- Preferred name
- 2-[(5-Thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]phthalazin-1-one
- IUPAC
- 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]phthalazin-1-one
Names & synonyms
MLS001176335CHEMBL1351854DTXSID301331811HMS2889P19AKOS034700280SMR000596432Z916514592-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]phthalazin-1-one2-{[5-(Thiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl}phthalazin-1(2H)-one878946-37-3
Database identifiers
- CAS
878946-37-3- PubChem CID
- 9507085
- DTXSID
DTXSID301331811- ChEMBL
CHEMBL1351854
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
Experimental & physicochemical properties
Solubility31.3 [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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