8'-methoxy-3-methyl-4'-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]spiro[1,3-benzothiazole-2,2'-3,4-dihydrochromene]
Basic information
- CAS
58566-08-8- Standard SMILES
COc1cccc2c1OC1(CC2/C=C2\Sc3ccccc3N2C)Sc2ccccc2N1C- InChIKey
ZBHJDMDVLDATCX-IWIPYMOSSA-N- Molecular formula
- C26H24N2O2S2
- Average molar mass
- 460.6 g/mol
- Monoisotopic mass
- 460.12792036
Names & identifiers
- Preferred name
- 8'-methoxy-3-methyl-4'-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]spiro[1,3-benzothiazole-2,2'-3,4-dihydrochromene]
- IUPAC
- 8'-methoxy-3-methyl-4'-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]spiro[1,3-benzothiazole-2,2'-3,4-dihydrochromene]
Names & synonyms
SCHEMBL11314045
Database identifiers
- CAS
58566-08-8- PubChem CID
- 6436717
- Nikkaji
- J429.373H
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 735
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Compound notes
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