Basic information
- Standard SMILES
OC1(c2ccc3[nH]cc(CCN4CCCC4)c3c2)C=CSC=C1- InChIKey
AYRBICRHUPWTPG-UHFFFAOYSA-N- Molecular formula
- C19H22N2OS
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.1452845
Names & identifiers
- Preferred name
- 5-(4-Hydroxythiapyran-4-yl)-3-(2-pyrrolidinylethyl)-1H-indole
- IUPAC
- 4-[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]thiopyran-4-ol
Names & synonyms
SCHEMBL6970858AYRBICRHUPWTPG-UHFFFAOYSA-N5-(4-Hydroxythiapyran-4-yl)-3-(2-pyrrolidinylethyl)-1H-indole
Database identifiers
- PubChem CID
- 69948946
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
Related reactions
1 records
Compound notes
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