(5-Nitrothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
Basic information
- CAS
875523-40-3- Standard SMILES
O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ccccn2)CC1- InChIKey
CAFIXOSSJAHDTD-UHFFFAOYSA-N- Molecular formula
- C14H14N4O3S
- Average molar mass
- 318.35 g/mol
- Monoisotopic mass
- 318.07866149
Names & identifiers
- Preferred name
- (5-Nitrothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
- IUPAC
- (5-nitrothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
Names & synonyms
(5-nitrothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanoneMLS001193282CHEMBL1560674DTXSID101328484HMS2896F13AKOS033972424875523-40-3SMR000592538Z26736257(5-Nitrothiophen-2-yl)[4-(pyridin-2-yl)piperazin-1-yl]methanone
Database identifiers
- CAS
875523-40-3- PubChem CID
- 9535993
- DTXSID
DTXSID101328484- ChEMBL
CHEMBL1560674
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Experimental & physicochemical properties
Solubility42.7 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…