Basic information
- Standard SMILES
Nc1sc(CC(O)CO)cc1C(=O)c1ccccc1Cl- InChIKey
HZAUDAZKTIATQL-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO3S
- Average molar mass
- 311.8 g/mol
Names & identifiers
- Preferred name
- 2-Amino-3-(2-chlorobenzoyl)-5-(2,3-dihydroxy-n-propyl)-thiophene
- IUPAC
- [2-amino-5-(2,3-dihydroxypropyl)thiophen-3-yl]-(2-chlorophenyl)methanone
Names & synonyms
SCHEMBL9669297HZAUDAZKTIATQL-UHFFFAOYSA-N2-amino-3-(2-chlorobenzoyl)-5-(2,3-dihydroxy-n-propyl)-thiophene
Database identifiers
- PubChem CID
- 19866477
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Related reactions
2 records
Compound notes
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