5H-1,3,4-Thiadiazolo(2,3-b)quinazolin-5-one, 6,7,8,9-tetrahydro-2-phenyl-
Basic information
- CAS
116805-50-6- Standard SMILES
O=c1c2c(nc3sc(-c4ccccc4)nn13)CCCC2- InChIKey
HMHPEHYNABVEGI-UHFFFAOYSA-N- Molecular formula
- C15H13N3OS
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.07793322
Names & identifiers
- Preferred name
- 5H-1,3,4-Thiadiazolo(2,3-b)quinazolin-5-one, 6,7,8,9-tetrahydro-2-phenyl-
- IUPAC
- 2-phenyl-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Names & synonyms
BRN 50935605H-1,3,4-Thiadiazolo(2,3-b)quinazolin-5-one, 6,7,8,9-tetrahydro-2-phenyl-116805-50-66,7,8,9-Tetrahydro-2-phenyl-5H-1,3,4-thiadiazolo(2,3-b)quinazolin-5-oneDTXSID40151525RefChem:305213DTXCID90740162-Phenyl-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Database identifiers
- CAS
116805-50-6- PubChem CID
- 3087983
- DTXSID
DTXSID40151525- Nikkaji
- J625.721F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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