Basic information
- CAS
79750-99-5- Standard SMILES
O=c1oc(-c2ccccc2)nc2c1sc1nc(-c3ccccc3)oc(=O)c12- InChIKey
AREJKNMTJLOWIZ-UHFFFAOYSA-N- Molecular formula
- C20H10N2O4S
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.03612798
Names & identifiers
- Preferred name
- 4,11-Diphenyl-5,12-dioxa-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10-tetraene-6,13-dione
- IUPAC
- 4,11-diphenyl-5,12-dioxa-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10-tetraene-6,13-dione
Names & synonyms
NSC35429079750-99-5DTXSID80320051NSC-3542902,7-Diphenyl-4H,9H-thieno[2,3-d:4,5-d']bis[1,3]oxazine-4,9-dione
Database identifiers
- CAS
79750-99-5- PubChem CID
- 337192
- DTXSID
DTXSID80320051
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 694
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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