2-[3-(4-Oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
Basic information
- CAS
81930-82-7- Standard SMILES
O=c1oc(-c2cccc(-c3nc4sc5c(c4c(=O)o3)CCCC5)c2)nc2sc3c(c12)CCCC3- InChIKey
NIJSCUBDEUFAEZ-UHFFFAOYSA-N- Molecular formula
- C26H20N2O4S2
- Average molar mass
- 488.6 g/mol
- Monoisotopic mass
- 488.08644947
Names & identifiers
- Preferred name
- 2-[3-(4-Oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
- IUPAC
- 2-[3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
Names & synonyms
81930-82-7NSC3543152-[3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-oneDTXSID30320061NSC-3543152,2'-(1,3-Phenylene)di(5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one)
Database identifiers
- CAS
81930-82-7- PubChem CID
- 337216
- DTXSID
DTXSID30320061
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 866
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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