Basic information
- CAS
199852-48-7- Standard SMILES
CCc1c(Cc2cc(C)cc(C)c2)n2c(nc1=O)SCC2CBr- InChIKey
VXSQSHSYDFDUAU-UHFFFAOYSA-N- Molecular formula
- C18H21BrN2OS
- Average molar mass
- 393.3 g/mol
- Monoisotopic mass
- 392.0558
Names & identifiers
- Preferred name
- 7H-Thiazolo(3,2-a)pyrimidin-7-one, 3-(bromomethyl)-5-((3,5-dimethylphenyl)methyl)-6-ethyl-2,3-dihydro-
- IUPAC
- 3-(bromomethyl)-5-[(3,5-dimethylphenyl)methyl]-6-ethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Names & synonyms
199852-48-73-(Bromomethyl)-5-(3,5-dimethylbenzyl)-6-ethyl-2H-thiazolo[3,2-a]pyrimidin-7(3H)-one7H-Thiazolo(3,2-a)pyrimidin-7-one, 3-(bromomethyl)-5-((3,5-dimethylphenyl)methyl)-6-ethyl-2,3-dihydro-7H-Thiazolo[3,2-a]pyrimidin-7-one, 3-(bromomethyl)-5-[(3,5-dimethylphenyl)methyl]-6-ethyl-2,3-dihydro-NSC708372CHEMBL304188DTXSID70941956NSC-708372NCI60_0383653-(Bromomethyl)-5-[(3,5-dimethylphenyl)methyl]-6-ethyl-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one3-(bromomethyl)-5-[(3,5-dimethylphenyl)methyl]-6-ethyl-2,3-dihydrothiazolo[3,2-a]pyrimidin-7-one
Database identifiers
- CAS
199852-48-7- PubChem CID
- 398468
- DTXSID
DTXSID70941956- ChEMBL
CHEMBL304188
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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