4-(2,3-Dimethylphenyl)-1-(ethylthio)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Basic information
- CAS
85772-42-5- Standard SMILES
CCSc1nnc2n(-c3cccc(C)c3C)c(=O)c3ccccc3n12- InChIKey
JAODYLXTQKTCRO-UHFFFAOYSA-N- Molecular formula
- C19H18N4OS
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.12013238
Names & identifiers
- Preferred name
- 4-(2,3-Dimethylphenyl)-1-(ethylthio)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
- IUPAC
- 4-(2,3-dimethylphenyl)-1-ethylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Names & synonyms
DTXSID901137683AKOS0330974014-(2,3-Dimethylphenyl)-1-(ethylthio)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one85772-42-5Z1139629624-(2,3-Dimethylphenyl)-1-(ethylsulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Database identifiers
- CAS
85772-42-5- PubChem CID
- 13057740
- DTXSID
DTXSID901137683
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 504
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Compound notes
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