Basic information
- Standard SMILES
O=c1c2cnc(-c3ccccc3)nc2sn1Cc1ccccc1- InChIKey
KHHOHXABTYDVOG-UHFFFAOYSA-N- Molecular formula
- C18H13N3OS
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- 2-Benzyl-6-phenyl-isothiazolo[5,4-d]pyrimidin-3-one
- IUPAC
- 2-benzyl-6-phenyl-[1,2]thiazolo[5,4-d]pyrimidin-3-one
Names & synonyms
SCHEMBL8077827KHHOHXABTYDVOG-UHFFFAOYSA-N2-Benzyl-6-phenyl-isothiazolo[5,4-d]pyrimidin-3-one2-Benzyl-6-phenyl-isothiazolo [5,4-d]pyrimidin-3-one
Database identifiers
- PubChem CID
- 23287902
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 420
Related reactions
6 records
Compound notes
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