Basic information
- CAS
86971-08-6- Standard SMILES
CC(=O)NC1=N[C@]2(C(C)=O)CC(C)=CC[C@@H]2C(=O)N1- InChIKey
VPVWENRSLJUARU-MFKMUULPSA-N- Molecular formula
- C13H17N3O3
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.12699141
Names & identifiers
- Preferred name
- N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide
- IUPAC
- N-[(4aS,8aR)-8a-acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl]acetamide
Names & synonyms
86971-08-6N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamideDTXSID901007224N-(8a-Acetyl-4-hydroxy-7-methyl-4a,5,8,8a-tetrahydroquinazolin-2-yl)ethanimidic acidN-[(4aS,8aR)-8a-Acetyl-4-hydroxy-7-methyl-4a,5,8,8a-tetrahydroquinazolin-2-yl]ethanimidic acid
Database identifiers
- CAS
86971-08-6- PubChem CID
- 190079
- DTXSID
DTXSID901007224
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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