Basic information
- CAS
299965-86-9- Standard SMILES
CCN1C(=CC(C)=O)SC(c2ccccc2)=C1c1ccccc1- InChIKey
VWKJKBFZSVVPNV-UHFFFAOYSA-N- Molecular formula
- C20H19NOS
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.1187354
Names & identifiers
- Preferred name
- 1-(3-Ethyl-4,5-diphenyl-2(3H)-thiazolylidene)-2-propanone
- IUPAC
- 1-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)propan-2-one
Names & synonyms
1-(3-Ethyl-4,5-diphenyl-2(3H)-thiazolylidene)-2-propanoneDTXSID201197876299965-86-91-(3-Ethyl-4,5-diphenyl-1,3-thiazol-2(3H)-ylidene)propan-2-one
Database identifiers
- CAS
299965-86-9- PubChem CID
- 4554652
- DTXSID
DTXSID201197876
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…