2,13-Dichloro-11,22-dioxa-4,6,15,17-tetrazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5(10),6,8,12,14,16(21),17,19-decaene
Basic information
- CAS
32616-40-3- Standard SMILES
Clc1c2c(c(Cl)c3c1=Nc1ncccc1O3)=Nc1ncccc1O2- InChIKey
IIJSUJMHNYDXCO-UHFFFAOYSA-N- Molecular formula
- C16H6Cl2N4O2
- Average molar mass
- 357.1 g/mol
- Monoisotopic mass
- 355.9867808
Names & identifiers
- Preferred name
- 2,13-Dichloro-11,22-dioxa-4,6,15,17-tetrazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5(10),6,8,12,14,16(21),17,19-decaene
- IUPAC
- 2,13-dichloro-11,22-dioxa-4,6,15,17-tetrazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5(10),6,8,12,14,16(21),17,19-decaene
Names & synonyms
NSC28199532616-40-3DTXSID50314321NSC-2819956,13-Dichloro-5,12-dioxa-1,7,8,14-tetraaza-pentacene6,13-Dichlorodipyrido[2,3-e:2,3-e']benzo[1,2-b:4,5-b']bis[1,4]oxazine
Database identifiers
- CAS
32616-40-3- PubChem CID
- 323162
- DTXSID
DTXSID50314321
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 655
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Compound notes
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