Basic information
- CAS
49702-16-1- Standard SMILES
CCOC(=O)Cc1ccc2sc(-c3ccccc3)nc2c1- InChIKey
KDOPUKOTJDLFQA-UHFFFAOYSA-N- Molecular formula
- C17H15NO2S
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.08234989
Names & identifiers
- Preferred name
- 5-Benzothiazoleacetic acid, 2-phenyl-, ethyl ester
- IUPAC
- ethyl 2-(2-phenyl-1,3-benzothiazol-5-yl)acetate
Names & synonyms
BRN 1005503Ethyl 2-phenyl-5-benzothiazoleacetate5-BENZOTHIAZOLEACETIC ACID, 2-PHENYL-, ETHYL ESTER49702-16-1DTXSID30197977RefChem:301248DTXCID90120468(2-Phenyl-benzothiazol-5-yl)-acetic acid ethyl esterMLS000564000SMR000174962Ethyl (2-phenyl-1,3-benzothiazol-5-yl)acetateethyl 2-(2-phenyl-1,3-benzothiazol-5-yl)acetate
Show more names
Enamine_001510cid_39508CHEMBL1531806BDBM49597HMS1398E14HMS2547N04AKOS000523920EBC-167024
Database identifiers
- CAS
49702-16-1- PubChem CID
- 39508
- DTXSID
DTXSID30197977- ChEMBL
CHEMBL1531806- Nikkaji
- J65.526K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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