Basic information
- CAS
76099-12-2- Standard SMILES
Clc1ccc(C23OCC(Cn4c2nc2ccccc24)O3)cc1Cl- InChIKey
VNWDUKDUBQDBEG-UHFFFAOYSA-N- Molecular formula
- C17H12Cl2N2O2
- Average molar mass
- 347.2 g/mol
- Monoisotopic mass
- 346.027583
Names & identifiers
- Preferred name
- 1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(3,4-dichlorophenyl)-
- IUPAC
- 1-(3,4-dichlorophenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
Names & synonyms
BRN 56249064,5-Dihydro-1-(3,4-dichlorophenyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole76099-12-21,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(3,4-dichlorophenyl)-RefChem:220879DTXSID509974361-(3,4-Dichlorophenyl)-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a]benzimidazole1-(3,4-Dichlorophenyl)-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a][1,3]benzimidazole
Database identifiers
- CAS
76099-12-2- PubChem CID
- 3059080
- DTXSID
DTXSID50997436
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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