3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Basic information
- CAS
61628-72-6- Standard SMILES
CC(C)N1C(=O)C(C#N)=C(c2ccccc2)SC1c1ccccc1- InChIKey
KXHDZZULGULEBK-UHFFFAOYSA-N- Molecular formula
- C20H18N2OS
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.11398438
Names & identifiers
- Preferred name
- 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
- IUPAC
- 4-oxo-2,6-diphenyl-3-propan-2-yl-2H-1,3-thiazine-5-carbonitrile
Names & synonyms
61628-72-63-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrileNSC298211NSC 298211NSC-2982113-isopropyl-4-oxo-2,6-diphenyl-2H-1,3-thiazine-5-carbonitrile
Database identifiers
- CAS
61628-72-6- PubChem CID
- 326568
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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