Basic information
- CAS
120944-20-9- Standard SMILES
Cl.O=c1[nH]c(-c2ccc(F)cc2)c(CCN2CCN(c3cccc(Cl)c3Cl)CC2)o1- InChIKey
KYOYJSKPZXQJEO-UHFFFAOYSA-N- Molecular formula
- C21H21Cl3FN3O2
- Average molar mass
- 472.8 g/mol
- Monoisotopic mass
- 471.068338
Names & identifiers
- Preferred name
- 2(3H)-Oxazolone, 5-(2-(4-(2,3-dichlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, monohydrochloride
- IUPAC
- 5-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-oxazol-2-one;hydrochloride
Names & synonyms
2(3H)-Oxazolone, 5-(2-(4-(2,3-dichlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, monohydrochloride4-(4-Fluorophenyl)-5-(2-(4-(2,3-dichlorophenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl120944-20-9DTXSID10153076RefChem:241714DTXCID10755675-{2-[4-(2,3-Dichlorophenyl)piperazin-1-yl]ethyl}-4-(4-fluorophenyl)-1,3-oxazol-2(3H)-one--hydrogen chloride (1/1)
Database identifiers
- CAS
120944-20-9- PubChem CID
- 3078377
- DTXSID
DTXSID10153076
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 619
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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