Basic information
- Standard SMILES
O=C(NC(CCNCc1ccccc1)c1ccccc1)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1- InChIKey
QGOJUDJWWQEMGA-UHFFFAOYSA-N- Molecular formula
- C32H33N3O3S2
- Average molar mass
- 571.8 g/mol
- Monoisotopic mass
- 571.19633427
Names & identifiers
- Preferred name
- N-[3-(benzylamino)-1-phenylpropyl]-3-([1,1'-biphenyl]-4-ylsulfonyl)-1,3-thiazolidine-2-carboxamide
- IUPAC
- N-[3-(benzylamino)-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
Names & synonyms
SCHEMBL3383230QGOJUDJWWQEMGA-UHFFFAOYSA-NN-[3-(benzylamino)-1-phenylpropyl]-3-([1,1'-biphenyl]-4-ylsulfonyl)-1,3-thiazolidine-2-carboxamide
Database identifiers
- PubChem CID
- 10129009
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 868
Related reactions
2 records
Compound notes
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