(6Z)-2-ethyl-5-imino-6-[(4-phenylmethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Basic information
- CAS
6195-01-3- Standard SMILES
CCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)N=C2S1- InChIKey
UFXQDCDWKVRQCZ-GAGNZYIBSA-N- Molecular formula
- C21H18N4O2S
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.115047
Names & identifiers
- Preferred name
- (6Z)-2-ethyl-5-imino-6-[(4-phenylmethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
- IUPAC
- (6Z)-2-ethyl-5-imino-6-[(4-phenylmethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Names & synonyms
6195-01-36-[4-(benzyloxy)benzylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-oneAM-900/14909123(6Z)-2-ethyl-5-imino-6-[(4-phenylmethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-oneDTXSID00417558SMSF0017015CB08256BIM-0005967.P001(6Z)-6-{[4-(Benzyloxy)phenyl]methylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Database identifiers
- CAS
6195-01-3- PubChem CID
- 5349132
- DTXSID
DTXSID00417558
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 716
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…