[1-(1,3-Benzothiazol-2-yl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
Basic information
- CAS
61466-49-7- Standard SMILES
O=C(c1cnn(-c2nc3ccccc3s2)c1)c1ccccc1O- InChIKey
HHNKOCBSFHEONB-UHFFFAOYSA-N- Molecular formula
- C17H11N3O2S
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.05719778
Names & identifiers
- Preferred name
- [1-(1,3-Benzothiazol-2-yl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
- IUPAC
- [1-(1,3-benzothiazol-2-yl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
Names & synonyms
SMR000062475MLS000036057[1-(1,3-benzothiazol-2-yl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone61466-49-7CHEMBL1378316BDBM30826cid_2400664DTXSID30368504HMS1757L08HMS2330B18SR-01000040541SR-01000040541-1
Show more names
T0514-8844[1-(1,3-Benzothiazol-2-yl)-1H-pyrazol-4-yl](2-hydroxyphenyl)methanone[1-(1,3-benzothiazol-2-yl)-4-pyrazolyl]-(2-hydroxyphenyl)methanone
Database identifiers
- CAS
61466-49-7- PubChem CID
- 2400664
- DTXSID
DTXSID30368504- ChEMBL
CHEMBL1378316
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
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Related reactions
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Compound notes
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