Pyrano(2,3-c)pyrazol-6(1H)-one, 1-(2-benzothiazolyl)-3,4-dimethyl-
Basic information
- CAS
106515-42-8- Standard SMILES
Cc1cc(=O)oc2c1c(C)nn2-c1nc2ccccc2s1- InChIKey
HPWAVDKKJPMHGS-UHFFFAOYSA-N- Molecular formula
- C15H11N3O2S
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.05719778
Names & identifiers
- Preferred name
- Pyrano(2,3-c)pyrazol-6(1H)-one, 1-(2-benzothiazolyl)-3,4-dimethyl-
- IUPAC
- 1-(1,3-benzothiazol-2-yl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
Names & synonyms
BRN 5600312Pyrano(2,3-c)pyrazol-6(1H)-one, 1-(2-benzothiazolyl)-3,4-dimethyl-106515-42-8DTXSID401476201-(2-Benzothiazolyl)-3,4-dimethylpyrano(2,3-c)pyrazol-6(1H)-oneRefChem:375843DTXCID9070111HPWAVDKKJPMHGS-UHFFFAOYSA-N1-(1,3-Benzothiazol-2-yl)-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one1-(1,3-Benzothiazol-2-yl)-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one #1-(Benzothiazol-2-yl)-3,4-dimethyl-pyrano(2,3-c)pyrazol-6(1H)-one
Database identifiers
- CAS
106515-42-8- PubChem CID
- 626705
- DTXSID
DTXSID40147620
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 484
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…