Basic information
- CAS
7505-56-8- Standard SMILES
O=C1c2ccccc2C(=O)c2cc(Nc3ccc4snc5c4c3C(=O)c3ccccc3-5)ccc21- InChIKey
YQFQXZQFMSYZFX-UHFFFAOYSA-N- Molecular formula
- C28H14N2O3S
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.07251349
Names & identifiers
- Preferred name
- 2-[(8-Oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)amino]anthracene-9,10-dione
- IUPAC
- 2-[(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)amino]anthracene-9,10-dione
Names & synonyms
NSC399097505-56-8SCHEMBL14228442DTXSID20328612NSC-399092-[(oxo[?]yl)amino]anthracene-9,10-dione2-[(6-Oxo-6H-anthra[9,1-cd][1,2]thiazol-5-yl)amino]anthracene-9,10-dione9,10-Anthracenedione, 2-[(6-oxo-6H-anthra[9,1-cd]isothiazol-5-yl)amino]-
Database identifiers
- CAS
7505-56-8- PubChem CID
- 412446
- DTXSID
DTXSID20328612
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 878
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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