2-methyl-5-(2-benzothiazolylmethoxy)-1H-indole-3-acetic acid ethyl ester
Basic information
- Standard SMILES
CCOC(=O)Cc1c(C)[nH]c2ccc(OCc3nc4ccccc4s3)cc12- InChIKey
VMHKHRYAXBLXNQ-UHFFFAOYSA-N- Molecular formula
- C21H20N2O3S
- Average molar mass
- 380.5 g/mol
Names & identifiers
- Preferred name
- 2-methyl-5-(2-benzothiazolylmethoxy)-1H-indole-3-acetic acid ethyl ester
- IUPAC
- ethyl 2-[5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-1H-indol-3-yl]acetate
Names & synonyms
SCHEMBL9138682VMHKHRYAXBLXNQ-UHFFFAOYSA-N2-methyl-5-(2-benzothiazolylmethoxy)-1H-indole-3-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 15288024
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 520
Related reactions
2 records
Compound notes
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