Basic information
- Standard SMILES
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C1(OCCCO1)C1=NCCCN12- InChIKey
OUCQRXOWAHCURV-HNNXBMFYSA-N- Molecular formula
- C20H27N3O5S
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.16714214
Names & identifiers
- Preferred name
- 8'-{[(2S)-2-(Methoxymethyl)pyrrolidinyl]sulfonyl}-3',4'-dihydrospiro(1,3-dioxane-2,10' (2'H)-pyrimido(1,2-a)indole)
- IUPAC
- 8'-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylspiro[1,3-dioxane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole]
Names & synonyms
SCHEMBL5464987OUCQRXOWAHCURV-HNNXBMFYSA-N8'-{[(2S)-2-(Methoxymethyl)pyrrolidinyl]sulfonyl}-3',4'-dihydrospiro(1,3-dioxane-2,10' (2'H)-pyrimido(1,2-a)indole)8'-{[(2S)-2-(Methoxymethyl)pyrrolidinyl]sulfonyl}-3',4'-dihydrospiro(1,3-dioxane-2,10'(2'H)-pyrimido(1,2-a)indole)
Database identifiers
- PubChem CID
- 11546292
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 746
Related reactions
2 records
Compound notes
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