2H-1,3-Benzoxazine, 3,3'-(1,2-ethanediyl)bis[6-chloro-3,4-dihydro-
Basic information
- CAS
93881-83-5- Standard SMILES
Clc1ccc2c(c1)CN(CCN1COc3ccc(Cl)cc3C1)CO2- InChIKey
OSRUIUKSCUMIKE-UHFFFAOYSA-N- Molecular formula
- C18H18Cl2N2O2
- Average molar mass
- 365.2 g/mol
- Monoisotopic mass
- 364.0745332
Names & identifiers
- Preferred name
- 2H-1,3-Benzoxazine, 3,3'-(1,2-ethanediyl)bis[6-chloro-3,4-dihydro-
- IUPAC
- 6-chloro-3-[2-(6-chloro-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine
Names & synonyms
93881-83-52H-1,3-Benzoxazine, 3,3'-(1,2-ethanediyl)bis[6-chloro-3,4-dihydro-CHEMBL1097239DTXSID504380513,3'-Ethylenebis(3,4-dihydro-6-chloro-2H-1,3-benzoxazine)3,3'-(Ethane-1,2-diyl)bis(6-chloro-3,4-dihydro-2H-1,3-benzoxazine)
Database identifiers
- CAS
93881-83-5- PubChem CID
- 10316751
- DTXSID
DTXSID50438051- ChEMBL
CHEMBL1097239- Nikkaji
- J590.710A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 390
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Related reactions
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Compound notes
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