K 309
Basic information
- CAS
52321-54-7- Standard SMILES
O=C(O)CCc1ccc2sc(-c3ccccc3)nc2c1- InChIKey
NKOLMUVZDOHNNB-UHFFFAOYSA-N- Molecular formula
- C16H13NO2S
- Average molar mass
- 283.3 g/mol
- Monoisotopic mass
- 283.06669983
Overview
structure
Names & identifiers
- Preferred name
- K 309
- IUPAC
- 3-(2-phenyl-1,3-benzothiazol-5-yl)propanoic acid
- English name
- K-309
- Molecular formula
- C16H13NO2S
- Molecular weight
- 283.34
Names & synonyms
52321-54-7K 3092-Phenyl-5-benzothiazolepropionic acidK-309DTXSID40200345RefChem:150716DTXCID401228363-(2-phenyl-1,3-benzothiazol-5-yl)propanoic acid5-BENZOTHIAZOLEPROPIONIC ACID, 2-PHENYL-2-phenyl-5-benzothiazolepropanoic acidBRN 1127529orb1696803
Show more names
5-Benzothiazolepropanoic acid, 2-phenyl-
AKOS040752225T32351
Database identifiers
- CAS
52321-54-7- PubChem CID
- 40315
- DTXSID
DTXSID40200345- Nikkaji
- J65.540F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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