Basic information
- Standard SMILES
C[C@]1(CN2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)Cn2cc([N+](=O)[O-])nc2O1- InChIKey
KRGJOIFDJVJWRV-IBGZPJMESA-N- Molecular formula
- C19H21Cl2N5O5
- Average molar mass
- 470.3 g/mol
Names & identifiers
- Preferred name
- 3,5-dichlorobenzyl (S)-4-(2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazol-2-ylmethyl)piperazine-1-carboxylate
- IUPAC
- (3,5-dichlorophenyl)methyl 4-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL6010764KRGJOIFDJVJWRV-IBGZPJMESA-N3,5-dichlorobenzyl (S)-4-(2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazol-2-ylmethyl)piperazine-1-carboxylate3,5-dichlorobenzyl(s)-4-(2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazol-2-ylmethyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 69635302
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 667
Related reactions
1 records
Compound notes
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