Basic information
- Standard SMILES
NC(=O)CCSC1c2ccccc2COc2ccc(OCc3ccc4ccc(Cl)cc4n3)cc21- InChIKey
MYJCEODEWWWPNA-UHFFFAOYSA-N- Molecular formula
- C27H23ClN2O3S
- Average molar mass
- 491 g/mol
- Monoisotopic mass
- 490.1117915
Names & identifiers
- Preferred name
- 11-(2-Carbamoylethylthio)-2-(7-chloroquinolin-2-yl)methoxy-6,11-dihydrodibenz[b,e]oxepine
- IUPAC
- 3-[[2-[(7-chloroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanamide
Names & synonyms
SCHEMBL7801447MYJCEODEWWWPNA-UHFFFAOYSA-N11-(2-Carbamoylethylthio)-2-(7-chloroquinolin-2-yl)methoxy-6,11-dihydrodibenz[b,e]oxepine
Database identifiers
- PubChem CID
- 23359153
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 684
Related reactions
3 records
Compound notes
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