Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C(c2cccnc2)SC[C@H]1C(=O)NCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1- InChIKey
UPYIWAXRPGWNCK-QGFKTNLFSA-N- Molecular formula
- C34H43N5O3S
- Average molar mass
- 601.8 g/mol
- Monoisotopic mass
- 601.30866142
Names & identifiers
- Preferred name
- 3-t-Butoxycarbonyl-4(R)-[3-(4-diphenylmethyl-1-piperazinyl)propylcarbamoyl]-2-(3-pyridyl)thiazolidine
- IUPAC
- tert-butyl (4R)-4-[3-(4-benzhydrylpiperazin-1-yl)propylcarbamoyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate
Names & synonyms
SCHEMBL9253087UPYIWAXRPGWNCK-QGFKTNLFSA-N3-t-Butoxycarbonyl-4(R)-[3-(4-diphenylmethyl-1-piperazinyl)propylcarbamoyl]-2-(3-pyridyl)thiazolidine
Database identifiers
- PubChem CID
- 22857569
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 862
Related reactions
1 records
Compound notes
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