N-[[2-(4-chlorophenyl)-5,7-dimethylchromen-4-ylidene]amino]-1,3-benzothiazol-2-amine
Basic information
- CAS
6858-94-2- Standard SMILES
Cc1cc(C)c2c(=NNc3nc4ccccc4s3)cc(-c3ccc(Cl)cc3)oc2c1- InChIKey
DGMRMTRITWZVIL-UHFFFAOYSA-N- Molecular formula
- C24H18ClN3OS
- Average molar mass
- 431.9 g/mol
- Monoisotopic mass
- 431.0859111
Names & identifiers
- Preferred name
- N-[[2-(4-chlorophenyl)-5,7-dimethylchromen-4-ylidene]amino]-1,3-benzothiazol-2-amine
- IUPAC
- N-[[2-(4-chlorophenyl)-5,7-dimethylchromen-4-ylidene]amino]-1,3-benzothiazol-2-amine
Names & synonyms
6858-94-2N-[[2-(4-chlorophenyl)-5,7-dimethylchromen-4-ylidene]amino]-1,3-benzothiazol-2-amineDTXSID603646902-{2-[2-(4-Chlorophenyl)-5,7-dimethyl-4H-1-benzopyran-4-ylidene]hydrazin-1-yl}-1,3-benzothiazole
Database identifiers
- CAS
6858-94-2- PubChem CID
- 1645929
- DTXSID
DTXSID60364690
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 677
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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