[6-(N-isopropylcarbamoyl)-2[4-(N-isopropylcarbamoyl)phenyl]benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone
Basic information
- Standard SMILES
CC(C)NC(=O)c1ccc(-c2sc3cc(C(=O)NC(C)C)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1- InChIKey
UXCMHGFKLPQEIY-UHFFFAOYSA-N- Molecular formula
- C36H41N3O4S
- Average molar mass
- 611.8 g/mol
Names & identifiers
- Preferred name
- [6-(N-isopropylcarbamoyl)-2[4-(N-isopropylcarbamoyl)phenyl]benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone
- IUPAC
- 3-[4-(2-piperidin-1-ylethoxy)benzoyl]-N-propan-2-yl-2-[4-(propan-2-ylcarbamoyl)phenyl]-1-benzothiophene-6-carboxamide
Names & synonyms
SCHEMBL7936776UXCMHGFKLPQEIY-UHFFFAOYSA-N[6-(N-isopropylcarbamoyl)-2[4-(N-isopropylcarbamoyl)phenyl]benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone
Database identifiers
- PubChem CID
- 22001237
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 953
Related reactions
2 records
Compound notes
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