Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@H]3CN3CCC[C@H]3C)cc2)s1- InChIKey
CCMBNDWIMLKJEF-XLIONFOSSA-N- Molecular formula
- C23H30N2O3S2
- Average molar mass
- 446.6 g/mol
Names & identifiers
- Preferred name
- [4-(5-Ethanesulfonyl-thiophen-2-yl)-phenyl]-[2-(S)-(2-(R)-methyl-pyrrolidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone
- IUPAC
- [4-(5-ethylsulfonylthiophen-2-yl)phenyl]-[(2S)-2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrrolidin-1-yl]methanone
Names & synonyms
SCHEMBL3208717CCMBNDWIMLKJEF-XLIONFOSSA-N[4-(5-Ethanesulfonyl-thiophen-2-yl)-phenyl]-[2-(S)-(2-(R)-methyl-pyrrolidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone
Database identifiers
- PubChem CID
- 11619244
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 700
Related reactions
1 records
Compound notes
Loading…