Basic information
- CAS
637321-22-3- Standard SMILES
COc1cccc(C2Oc3ccccc3C3CC(c4cccs4)=NN32)c1- InChIKey
ZWRHJHMRFMXNLP-UHFFFAOYSA-N- Molecular formula
- C21H18N2O2S
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.10889899
Names & identifiers
- Preferred name
- 5-(3-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- IUPAC
- 5-(3-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Names & synonyms
5-(3-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine637321-22-3MLS000333724CHEMBL1387166DTXSID701326098HMS2811M23STL016710AKOS001061473AKOS016874416SMR000437903Z561751555-(3-Methoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Show more names
5-(3-methoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine4-(3-Methoxy-phenyl)-2-thiophen-2-yl-1,9b-dihydro-5-oxa-3,3a-diaza-cyclopenta[a]naphthalene5-(3-methoxyphenyl)-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine
Database identifiers
- CAS
637321-22-3- PubChem CID
- 3900407
- DTXSID
DTXSID701326098- ChEMBL
CHEMBL1387166
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 542
Experimental & physicochemical properties
Solubility1.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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