Basic information
- Standard SMILES
CCOCCn1c(NC2CCN(CCC3(c4ccccc4)CCN(C(=O)c4cc(NS(C)(=O)=O)ccc4OC)C3)CC2)nc2ccccc21- InChIKey
DRGXRJJBAQVQLJ-UHFFFAOYSA-N- Molecular formula
- C37H48N6O5S
- Average molar mass
- 688.9 g/mol
Names & identifiers
- Preferred name
- 1-(2-methoxy-5-methylsulfonamidobenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine
- IUPAC
- N-[3-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-methoxyphenyl]methanesulfonamide
Names & synonyms
SCHEMBL6995811DRGXRJJBAQVQLJ-UHFFFAOYSA-N1-(2-methoxy-5-methylsulfonamidobenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine
Database identifiers
- PubChem CID
- 22009162
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
2 records
Compound notes
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