Basic information
- Standard SMILES
COC(=O)c1[nH]c2c(C)ccc(C)c2c1-c1nc2ccccc2s1- InChIKey
LFLRQSWBGLYKDB-UHFFFAOYSA-N- Molecular formula
- C19H16N2O2S
- Average molar mass
- 336.4 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(benzothiazol-2-yl)-4,7-dimethylindole-2-carboxylate
- IUPAC
- methyl 3-(1,3-benzothiazol-2-yl)-4,7-dimethyl-1H-indole-2-carboxylate
Names & synonyms
SCHEMBL8322662LFLRQSWBGLYKDB-UHFFFAOYSA-Nmethyl 3-(benzothiazol-2-yl)-4,7-dimethylindole-2-carboxylate
Database identifiers
- PubChem CID
- 136124231
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 488
Related reactions
1 records
Compound notes
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