(S)-6-(3-Benzyloxy-benzyloxy)-2-nitro-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazine

HCID 476502

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Basic information

CAS: 187235-35-4
Standard SMILES: O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(OCc3ccccc3)c1)C2
InChIKey: LFQDLFRNJDCFQA-SFHVURJKSA-N
Molecular formula: C20H19N3O5
Average molar mass: 381.4 g/mol
Monoisotopic mass: 381.13247072

Names & identifiers

Preferred name: (S)-6-(3-Benzyloxy-benzyloxy)-2-nitro-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazine
IUPAC: (6S)-2-nitro-6-[(3-phenylmethoxyphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

Names & synonyms

PA-820(S)-6-(3-Benzyloxy-benzyloxy)-2-nitro-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazine187235-35-4(S)-6-(3-Benzyloxy-benzyloxy)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazineSCHEMBL29861958DTXSID40172018(6S)-6-[(3-benzyloxyphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine(6S)-6-{[3-(Benzyloxy)phenyl]methoxy}-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

Database identifiers

CAS: 187235-35-4
PubChem CID: 476502
DTXSID: DTXSID40172018

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 91.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 511

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