Basic information
- CAS
61628-74-8- Standard SMILES
CC(C)N=c1sc(-c2ccccc2)c(C#N)c(=O)n1C(C)C- InChIKey
VIAHYDZVPIIMSJ-UHFFFAOYSA-N- Molecular formula
- C17H19N3OS
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.12488341
Names & identifiers
- Preferred name
- 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile
- IUPAC
- 4-oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile
Names & synonyms
A25L4H5K7J61628-74-8NSC298212NSC 298212UNII-A25L4H5K7J4-oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile3-Isopropyl-2-(isopropylimino)-4-oxo-6-phenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrileNSC-298212(2Z)-3-isopropyl-2-isopropylimino-4-oxo-6-phenyl-1,3-thiazine-5-carbonitrile2H-1,3-THIAZINE-5-CARBONITRILE, 3,4-DIHYDRO-3-(1-METHYLETHYL)-2-((1-METHYLETHYL)IMINO)-4-OXO-6-PHENYL-
Database identifiers
- CAS
61628-74-8- PubChem CID
- 326569
- UNII
- A25L4H5K7J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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