Basic information
- CAS
733796-16-2- Standard SMILES
O=C(C=Cc1ccc(Cl)cc1Cl)OCc1nc2ccccc2s1- InChIKey
NMPAWQJSRNQNSB-UHFFFAOYSA-N- Molecular formula
- C17H11Cl2NO2S
- Average molar mass
- 364.2 g/mol
- Monoisotopic mass
- 362.9887552
Names & identifiers
- Preferred name
- 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate
- IUPAC
- 1,3-benzothiazol-2-ylmethyl 3-(2,4-dichlorophenyl)prop-2-enoate
Names & synonyms
2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoateDTXSID301191083AKOS033713692733796-16-2(1,3-benzothiazol-2-yl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate
Database identifiers
- CAS
733796-16-2- PubChem CID
- 3969865
- DTXSID
DTXSID301191083
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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