Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)cc1- InChIKey
RTFFPJYTIWKXJY-UHFFFAOYSA-N- Molecular formula
- C27H30ClN3O5S
- Average molar mass
- 544.1 g/mol
- Monoisotopic mass
- 543.1594699
Names & identifiers
- Preferred name
- 1-[4-(N-tert-Butoxycarbonylaminomethyl)benzoyl]-4-[(6-chloronaphthalen-2-yl)sulfonyl]piperazine
- IUPAC
- tert-butyl N-[[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]methyl]carbamate
Names & synonyms
SCHEMBL5734302RTFFPJYTIWKXJY-UHFFFAOYSA-N1-[4-(N-tert-Butoxycarbonylaminomethyl)benzoyl]-4-[(6-chloronaphthalen-2-yl)sulfonyl]piperazine
Database identifiers
- PubChem CID
- 22710552
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 902
Related reactions
3 records
Compound notes
Loading…