Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide
Basic information
- CAS
145787-26-4- Standard SMILES
Cc1cc(C)c2c(n1)S(=O)(=O)N(CCCN1CCN(c3ccccc3)CC1)C2=O- InChIKey
VPCTUIJYBSXDLY-UHFFFAOYSA-N- Molecular formula
- C21H26N4O3S
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.17256188
Names & identifiers
- Preferred name
- Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide
- IUPAC
- 4,6-dimethyl-1,1-dioxo-2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
Names & synonyms
145787-26-4Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxideDTXSID30163157RefChem:350165DTXCID20856484,6-Dimethyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1H-1lambda~6~-[1,2]thiazolo[5,4-b]pyridine-1,1,3(2H)-trione
Database identifiers
- CAS
145787-26-4- PubChem CID
- 3073073
- DTXSID
DTXSID30163157
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 681
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Compound notes
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