7-Methoxy-2,2-dimethyl-benzo[1,3]dioxole-5-carboxylic acid benzo[b]thiophen-2-ylmethyl-((S)-1-cyclobutyl-pyrrolidin-2-ylmethyl)-amide
Basic information
- Standard SMILES
COc1cc(C(=O)N(Cc2cc3ccccc3s2)C[C@@H]2CCCN2C2CCC2)cc2c1OC(C)(C)O2- InChIKey
JTJUHFVFMCUVSS-QFIPXVFZSA-N- Molecular formula
- C29H34N2O4S
- Average molar mass
- 506.7 g/mol
Names & identifiers
- Preferred name
- 7-Methoxy-2,2-dimethyl-benzo[1,3]dioxole-5-carboxylic acid benzo[b]thiophen-2-ylmethyl-((S)-1-cyclobutyl-pyrrolidin-2-ylmethyl)-amide
- IUPAC
- N-(1-benzothiophen-2-ylmethyl)-N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]-7-methoxy-2,2-dimethyl-1,3-benzodioxole-5-carboxamide
Names & synonyms
SCHEMBL5097305JTJUHFVFMCUVSS-QFIPXVFZSA-N7-Methoxy-2,2-dimethyl-benzo[1,3]dioxole-5-carboxylic acid benzo[b]thiophen-2-ylmethyl-((S)-1-cyclobutyl-pyrrolidin-2-ylmethyl)-amide
Database identifiers
- PubChem CID
- 58622136
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 791
Related reactions
1 records
Compound notes
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