(1R,8R,9S)-8,9,10,11,12-pentamethyl-5-phenyl-3,5,7-triazatetracyclo[7.2.1.01,8.03,7]dodec-10-ene-4,6-dione
Basic information
- CAS
68813-32-1- Standard SMILES
CC1=C(C)[C@]2(C)C(C)[C@]13Cn1c(=O)n(-c4ccccc4)c(=O)n1[C@@]32C- InChIKey
YFMBMZXUSHHABR-NWSAIFGKSA-N- Molecular formula
- C20H23N3O2
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.17902698
Names & identifiers
- Preferred name
- (1R,8R,9S)-8,9,10,11,12-pentamethyl-5-phenyl-3,5,7-triazatetracyclo[7.2.1.01,8.03,7]dodec-10-ene-4,6-dione
- IUPAC
- (1R,8R,9S)-8,9,10,11,12-pentamethyl-5-phenyl-3,5,7-triazatetracyclo[7.2.1.01,8.03,7]dodec-10-ene-4,6-dione
Names & synonyms
NSC338958DTXSID10988522NSC-338958(4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione
Database identifiers
- CAS
68813-32-1- PubChem CID
- 334301
- DTXSID
DTXSID10988522
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 739
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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