Pyrimidoindolone, 25e
Basic information
- Standard SMILES
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C1=NCC3(CCCCC3)CN12- InChIKey
UMFUNPLMLVDNME-INIZCTEOSA-N- Molecular formula
- C22H29N3O4S
- Average molar mass
- 431.6 g/mol
Names & identifiers
- Preferred name
- Pyrimidoindolone, 25e
- IUPAC
- 8-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclohexane]-10-one
Names & synonyms
pyrimidoindolone, 25eCHEMBL604054SCHEMBL5335390BDBM35224UMFUNPLMLVDNME-INIZCTEOSA-N8'-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}spiro[cyclohexane-1,3'-pyrimido[1,2-a]indol]-10'(2'H)-one
Database identifiers
- PubChem CID
- 11611743
- ChEMBL
CHEMBL604054
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 815
Related reactions
1 records
Compound notes
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