Basic information
- CAS
16131-65-0- Standard SMILES
O=C1C2C3CCC(O3)C2C(=O)N1c1nc2c(ccc3ccccc32)s1- InChIKey
ZOFAALOEKZEKBF-UHFFFAOYSA-N- Molecular formula
- C19H14N2O3S
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.07251349
Names & identifiers
- Preferred name
- 2-(Naphtho[1,2-d][1,3]thiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
- IUPAC
- 2-benzo[e][1,3]benzothiazol-2-yl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Names & synonyms
NSC8081216131-65-02-(naphtho[1,2-d][1,3]thiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dioneDTXSID40292205NSC-80812benzo[e][1,3]benzothiazol-2-yl[?]dione2-Naphtho[1,2-d][1,3]thiazol-2-ylhexahydro-1H-4,7-epoxyisoindole-1,3-dione
Database identifiers
- CAS
16131-65-0- PubChem CID
- 255366
- DTXSID
DTXSID40292205
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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