[4-(1H-Pyrazol-1-yl)phenyl]methyl 2,3-dihydro-1-oxopyrrolo[2,1-b]benzothiazole-3a(1H)-carboxylate
Basic information
- CAS
1093649-89-8- Standard SMILES
O=C1CCC2(C(=O)OCc3ccc(-n4cccn4)cc3)Sc3ccccc3N12- InChIKey
FSCVPTVOQRRROG-UHFFFAOYSA-N- Molecular formula
- C21H17N3O3S
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 391.09906259
Names & identifiers
- Preferred name
- [4-(1H-Pyrazol-1-yl)phenyl]methyl 2,3-dihydro-1-oxopyrrolo[2,1-b]benzothiazole-3a(1H)-carboxylate
- IUPAC
- (4-pyrazol-1-ylphenyl)methyl 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate
Names & synonyms
DTXSID601116060AKOS001338349AKOS016893981[4-(1H-Pyrazol-1-yl)phenyl]methyl 2,3-dihydro-1-oxopyrrolo[2,1-b]benzothiazole-3a(1H)-carboxylate1093649-89-8Z153779966[4-(1H-Pyrazol-1-yl)phenyl]methyl 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a(1H)-carboxylate
Database identifiers
- CAS
1093649-89-8- PubChem CID
- 17418005
- DTXSID
DTXSID601116060
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 624
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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