Basic information
- Standard SMILES
CCN1C(=O)C(=c2c3ccccc3c(=CC=C3Sc4ccccc4N3CC)n2CC)SC1=S- InChIKey
BOXXLPAHBNXZQD-UHFFFAOYSA-N- Molecular formula
- C26H25N3OS3
- Average molar mass
- 491.7 g/mol
- Monoisotopic mass
- 491.11597595
Names & identifiers
- Preferred name
- 3-Ethyl-5-{2-ethyl-3-[(3-ethylbenzothiazolin-2-ylidene) ethylidene]isoindol-1(3H)-ylidene}-rhodanine
- IUPAC
- 3-ethyl-5-[2-ethyl-3-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]isoindol-1-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
SCHEMBL11700423BOXXLPAHBNXZQD-UHFFFAOYSA-N3-Ethyl-5-{2-ethyl-3-[(3-ethylbenzothiazolin-2-ylidene) ethylidene]isoindol-1(3H)-ylidene}-rhodanine
Database identifiers
- PubChem CID
- 53693604
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 910
Related reactions
1 records
Compound notes
Loading…