Basic information
- Standard SMILES
O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(Cc2ccccc2)sn1- InChIKey
RXOTWHVWTYHMJK-UHFFFAOYSA-N- Molecular formula
- C21H18ClN3OS
- Average molar mass
- 395.9 g/mol
Names & identifiers
- Preferred name
- 5-Benzyl-N-(2-(5-chloro-1H-indol-3-yl)ethyl)isothiazole-3-carboxamide
- IUPAC
- 5-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide
Names & synonyms
SCHEMBL891930RXOTWHVWTYHMJK-UHFFFAOYSA-N5-Benzyl-N-(2-(5-chloro-1H-indol-3-yl)ethyl)isothiazole-3-carboxamide
Database identifiers
- PubChem CID
- 66831713
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 502
Related reactions
3 records
Compound notes
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