Basic information
- Standard SMILES
OCCCC1=NN(c2nc3ccccc3s2)C(O)(c2ccc(Cl)cc2)C1- InChIKey
XCCOGBZLVPGVRQ-UHFFFAOYSA-N- Molecular formula
- C19H18ClN3O2S
- Average molar mass
- 387.9 g/mol
Names & identifiers
- Preferred name
- 1-(2-Benzothiazolyl)-5-(4-chlorophenyl)-5-hydroxy-3-(3-hydroxypropyl)-2-pyrazoline
- IUPAC
- 2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-5-(3-hydroxypropyl)-4H-pyrazol-3-ol
Names & synonyms
SCHEMBL9465912XCCOGBZLVPGVRQ-UHFFFAOYSA-N1-(2-Benzothiazolyl)-5-(4-chlorophenyl)-5-hydroxy-3-(3- hydroxypropyl)-2-pyrazoline
Database identifiers
- PubChem CID
- 19797573
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 529
Related reactions
1 records
Compound notes
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