Basic information
- Standard SMILES
O=C(c1cccc2cc[nH]c12)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccsc2)C1- InChIKey
NVXAGMZQKQDKHD-UHFFFAOYSA-N- Molecular formula
- C29H31N3OS
- Average molar mass
- 469.6 g/mol
Names & identifiers
- Preferred name
- 1-(7-Indolylcarbonyl)-3-(RS)-(4-phenylpiperidinylmethyl)-4-(RS)-(3-thienyl)pyrrolidine
- IUPAC
- 1H-indol-7-yl-[3-[(4-phenylpiperidin-1-yl)methyl]-4-thiophen-3-ylpyrrolidin-1-yl]methanone
Names & synonyms
SCHEMBL7868533NVXAGMZQKQDKHD-UHFFFAOYSA-N1-(7-Indolylcarbonyl)-3-(RS)-(4-phenylpiperidinylmethyl)-4-(RS)-(3-thienyl)pyrrolidine
Database identifiers
- PubChem CID
- 18364772
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 689
Related reactions
2 records
Compound notes
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