Pyrimidoindolone, 25b
Basic information
- Standard SMILES
O=C1C2=NCC3(CCC3)CN2c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21- InChIKey
UZEROXNUFUQZOR-SFHVURJKSA-N- Molecular formula
- C25H27N3O4S
- Average molar mass
- 465.6 g/mol
Names & identifiers
- Preferred name
- Pyrimidoindolone, 25b
- IUPAC
- 8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclobutane]-10-one
Names & synonyms
pyrimidoindolone, 25bCHEMBL595807SCHEMBL5338962BDBM35221UZEROXNUFUQZOR-SFHVURJKSA-N8'-{[(2S)-2-(Phenoxymethyl)pyrrolidin-1-yl]sulfonyl}spiro[cyclobutane-1,3'-pyrimido[1,2-a]indol]-10'(2'H)-one
Database identifiers
- PubChem CID
- 11626852
- ChEMBL
CHEMBL595807
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 903
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Related reactions
1 records
Compound notes
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