Basic information
- Standard SMILES
CCOC(=O)CC(c1cnc(Br)s1)c1c[nH]c2c(CSC)cccc12- InChIKey
NXKATCIPABOOCM-UHFFFAOYSA-N- Molecular formula
- C18H19BrN2O2S2
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 438.00713
Names & identifiers
- Preferred name
- Ethyl 3-(2-bromo-1,3-thiazol-5-yl)-3-{7-[(methylsulfanyl)methyl]-1H-indol-3-yl}propanoate
- IUPAC
- ethyl 3-(2-bromo-1,3-thiazol-5-yl)-3-[7-(methylsulfanylmethyl)-1H-indol-3-yl]propanoate
Names & synonyms
SCHEMBL1351161NXKATCIPABOOCM-UHFFFAOYSA-NEthyl 3-(2-bromo-1,3-thiazol-5-yl)-3-{7-[(methylsulfanyl)methyl]-1H-indol-3-yl}propanoate
Database identifiers
- PubChem CID
- 58392201
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 457
Related reactions
3 records
Compound notes
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