2-(4-Oxo-3-phenyl-3,5,6,7,8-pentahydropentaleno[2,1-d]pyrimidin-2-ylthio)aceta mide
Basic information
- CAS
330646-56-5- Standard SMILES
NC(=O)CSc1nc2c(c(=O)n1-c1ccccc1)C1=C(CCC1)C2- InChIKey
WQVZRQFZDJCBIF-UHFFFAOYSA-N- Molecular formula
- C18H17N3O2S
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.10414797
Names & identifiers
- Preferred name
- 2-(4-Oxo-3-phenyl-3,5,6,7,8-pentahydropentaleno[2,1-d]pyrimidin-2-ylthio)aceta mide
- IUPAC
- 2-[(1-oxo-2-phenyl-5,6,7,8-tetrahydropentaleno[2,1-d]pyrimidin-3-yl)sulfanyl]acetamide
Names & synonyms
2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydropentaleno[2,1-d]pyrimidin-2-ylthio)aceta mideTimTec1_001132Oprea1_174496DTXSID301127408HMS1537D10AKOS024277783NCGC00174757-01330646-56-5ST018729BRD-K50023325-001-01-22-[(3,4,5,6,7,8-Hexahydro-4-oxo-3-phenylpentaleno[2,1-d]pyrimidin-2-yl)thio]acetamide2-[(4-Oxo-3-phenyl-3,4,5,6,7,8-hexahydropentaleno[2,1-d]pyrimidin-2-yl)sulfanyl]acetamide
Database identifiers
- CAS
330646-56-5- PubChem CID
- 670495
- DTXSID
DTXSID301127408
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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