2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile
Basic information
- CAS
6927-09-9- Standard SMILES
CCOc1cc(C=C(C#N)c2nc3ccccc3s2)cc(Cl)c1OCc1cccc2ccccc12- InChIKey
PUTLQTDWEAQKKF-UHFFFAOYSA-N- Molecular formula
- C29H21ClN2O2S
- Average molar mass
- 497 g/mol
- Monoisotopic mass
- 496.1012268
Names & identifiers
- Preferred name
- 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile
- IUPAC
- 2-(1,3-benzothiazol-2-yl)-3-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile
Names & synonyms
6927-09-9DTXSID604116982-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile
Database identifiers
- CAS
6927-09-9- PubChem CID
- 5229724
- DTXSID
DTXSID60411698
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 784
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…