Basic information
- Standard SMILES
COc1c(COC2CN(C(=O)OC(C)(C)C)CCC2c2ccc(OCCCS(=O)(=O)c3nc4ccccc4s3)cc2)ccc2ccccc12- InChIKey
NOHSYNHBKXMAKN-UHFFFAOYSA-N- Molecular formula
- C38H42N2O7S2
- Average molar mass
- 702.9 g/mol
- Monoisotopic mass
- 702.24334403
Names & identifiers
- Preferred name
- tert-butyl (3RS,4RS)-4-[4-[3-(benzothiazol-2-ylsulfonyl)-propoxy]-phenyl]-3-(1-methoxy-naphthalen-2-ylmethoxy)-piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[3-(1,3-benzothiazol-2-ylsulfonyl)propoxy]phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
Names & synonyms
NOHSYNHBKXMAKN-UHFFFAOYSA-Ntert-butyl (3RS,4RS)-4-[4-[3-(benzothiazol-2-ylsulfonyl)-propoxy]-phenyl]-3-(1-methoxy-naphthalen-2-ylmethoxy)-piperidine-1-carboxylatetert-butyl (3RS,4RS)-4-[4-[3-(benzothiazol-2-ylsulphonyl)-propoxy]-phenyl]-3-(1-methoxy-naphthalen-2-ylmethoxy)-piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 86604445
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
1 records
Compound notes
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