Basic information
- CAS
90230-01-6- Standard SMILES
O=c1c2cccc3c4ccccc4c4sc5ccccc5n1-c4c23- InChIKey
JXUGNTCQXRSCHH-UHFFFAOYSA-N- Molecular formula
- C21H11NOS
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.05613515
Names & identifiers
- Preferred name
- CID 349902
- IUPAC
- 8-thia-1-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-2,4,6,9(22),10,12,14,16(21),17,19-decaen-23-one
Names & synonyms
NSC40981190230-01-6DTXSID80325364NSC-4098116H-Benz[c]isoindolo[2,1,7-mna]phenothiazin-6-one6H-Benzo[c]isoindolo[2,1,7-mna]phenothiazin-6-one8-Thia-1-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-2,4,6,9(22),10,12,14,16(21),17,19-decaen-23-one
Database identifiers
- CAS
90230-01-6- PubChem CID
- 349902
- DTXSID
DTXSID80325364
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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