Basic information
- CAS
199852-30-7- Standard SMILES
CCc1c(Cc2cccc3ccccc23)n2c(nc1=O)SCC2OCCO- InChIKey
TVYUHQCANCYRBZ-UHFFFAOYSA-N- Molecular formula
- C21H22N2O3S
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.13511374
Names & identifiers
- Preferred name
- 7H-Thiazolo(3,2-a)pyrimidin-7-one, 6-ethyl-2,3-dihydro-3-(2-hydroxyethoxy)-5-(1-naphthalenylmethyl)-
- IUPAC
- 6-ethyl-3-(2-hydroxyethoxy)-5-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Names & synonyms
199852-30-77H-Thiazolo(3,2-a)pyrimidin-7-one, 6-ethyl-2,3-dihydro-3-(2-hydroxyethoxy)-5-(1-naphthalenylmethyl)-7H-Thiazolo[3,2-a]pyrimidin-7-one, 6-ethyl-2,3-dihydro-3-(2-hydroxyethoxy)-5-(1-naphthalenylmethyl)-NSC708371CHEMBL1972296DTXSID40941943NSC-708371NCI60_0383646-ethyl-3-(2-hydroxyethoxy)-5-(1-naphthylmethyl)-2,3-dihydrothiazolo[3,2-a]pyrimidin-7-one6-Ethyl-3-(2-hydroxyethoxy)-5-[(naphthalen-1-yl)methyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Database identifiers
- CAS
199852-30-7- PubChem CID
- 398467
- DTXSID
DTXSID40941943- ChEMBL
CHEMBL1972296- Nikkaji
- J915.066H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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