Basic information
- CAS
49702-17-2- Standard SMILES
CCOC(=O)Cc1ccc2sc(-c3ccc(OC)cc3)nc2c1- InChIKey
RGIKAFNNDOGWCB-UHFFFAOYSA-N- Molecular formula
- C18H17NO3S
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.09291458
Names & identifiers
- Preferred name
- 5-Benzothiazoleacetic acid, 2-(4-methoxyphenyl)-, ethyl ester
- IUPAC
- ethyl 2-[2-(4-methoxyphenyl)-1,3-benzothiazol-5-yl]acetate
- English name
- 2-(4-Methoxyphenyl)-5-benzothiazoleacetic acid ethyl ester
- Molecular formula
- C18H17NO3S
- Molecular weight
- 327.4
Names & synonyms
BRN 101748249702-17-25-BENZOTHIAZOLEACETIC ACID, 2-(4-METHOXYPHENYL)-, ETHYL ESTEREthyl 2-(4-methoxyphenyl)-5-benzothiazoleacetateDTXSID90197978RefChem:301246DTXCID501204692-(4-Methoxyphenyl)-5-benzothiazoleacetic acid ethyl esterethyl [2-(4-methoxyphenyl)-1,3-benzothiazol-5-yl]acetate
Database identifiers
- CAS
49702-17-2- PubChem CID
- 39509
- DTXSID
DTXSID90197978- Nikkaji
- J65.524D
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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