Agn-PC-0loswk
Basic information
- CAS
5735-32-0- Standard SMILES
CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12- InChIKey
JPIOGWNDTWNXQS-UHFFFAOYSA-N- Molecular formula
- C27H25ClN2O3S
- Average molar mass
- 493 g/mol
- Monoisotopic mass
- 492.1274415
Names & identifiers
- Preferred name
- Agn-PC-0loswk
- IUPAC
- [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
Names & synonyms
5735-32-0AGN-PC-0LOSWKDTXSID804114932-[Benzyl(tert-butyl)amino]-2-oxoethyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
Database identifiers
- CAS
5735-32-0- PubChem CID
- 5226874
- DTXSID
DTXSID80411493
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 708
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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