Basic information
- Standard SMILES
O=C(c1ccc2cc(-c3nc(Cl)ncc3Cl)sc2c1)N1CCOCC1- InChIKey
VITVWVGGFGPUDI-UHFFFAOYSA-N- Molecular formula
- C17H13Cl2N3O2S
- Average molar mass
- 394.3 g/mol
Names & identifiers
- Preferred name
- [2-(2,5-Dichloropyrimidin-4-yl)-benzo[b]thiophen-6-yl]-morpholin-4-yl-methanone
- IUPAC
- [2-(2,5-dichloropyrimidin-4-yl)-1-benzothiophen-6-yl]-morpholin-4-ylmethanone
Names & synonyms
SCHEMBL3965558VITVWVGGFGPUDI-UHFFFAOYSA-N[2-(2,5-dichloropyrimidin-4-yl)-benzo[b]thiophen-6-yl]-morpholin-4-yl-methanone
Database identifiers
- PubChem CID
- 86625368
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 495
Related reactions
1 records
Compound notes
Loading…