2-Amino-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-isonicotinic acid pentyl ester
Basic information
- Standard SMILES
CCCCCOC(=O)c1cc(N)ncc1Sc1ccc(S(=O)(=O)N2CCCCC2)cc1- InChIKey
UDTOQDDTJWLHMO-UHFFFAOYSA-N- Molecular formula
- C22H29N3O4S2
- Average molar mass
- 463.6 g/mol
Names & identifiers
- Preferred name
- 2-Amino-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-isonicotinic acid pentyl ester
- IUPAC
- pentyl 2-amino-5-(4-piperidin-1-ylsulfonylphenyl)sulfanylpyridine-4-carboxylate
Names & synonyms
SCHEMBL1269547UDTOQDDTJWLHMO-UHFFFAOYSA-N2-amino-5-[4-(piperidine-1-sulfonyl) -phenylsulfanyl]-isonicotinic acid pentyl ester2-amino-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-isonicotinic acid pentyl ester
Database identifiers
- PubChem CID
- 57718213
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 656
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
6 records
Compound notes
Loading…