Basic information
- CAS
106531-84-4- Standard SMILES
Cc1ccc2nc(-n3nc(C)c4c(C)cc(=O)oc43)sc2c1- InChIKey
MSRZHOGKCUNQIJ-UHFFFAOYSA-N- Molecular formula
- C16H13N3O2S
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.07284784
Names & identifiers
- Preferred name
- Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)-
- IUPAC
- 3,4-dimethyl-1-(6-methyl-1,3-benzothiazol-2-yl)pyrano[3,2-d]pyrazol-6-one
Names & synonyms
BRN 5608328Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)-106531-84-4DTXSID001476413,4-Dimethyl-1-(6-methyl-2-benzothiazolyl)pyrano(2,3-c)pyrazol-6(1H)-oneRefChem:375846DTXCID2070132MSRZHOGKCUNQIJ-UHFFFAOYSA-N1-(6-Methyl-benzothiazol-2-yl)-3,4-dimethyl-pyrano(2,3-c)pyrazol-6-(1H)-one3,4-Dimethyl-1-(6-methyl-1,3-benzothiazol-2-yl)pyrano[2,3-c]pyrazol-6(1H)-one3,4-Dimethyl-1-(6-methyl-1,3-benzothiazol-2-yl)pyrano[2,3-c]pyrazol-6(1H)-one #
Database identifiers
- CAS
106531-84-4- PubChem CID
- 628367
- DTXSID
DTXSID00147641
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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