4(3H)-Quinazolinone, 3-(1-(2-benzothiazolyl)-3-methylbutyl)-2-phenyl-
Basic information
- CAS
72893-50-6- Standard SMILES
CC(C)CC(c1nc2ccccc2s1)n1c(-c2ccccc2)nc2ccccc2c1=O- InChIKey
BUGWLENJTYSGRR-UHFFFAOYSA-N- Molecular formula
- C26H23N3OS
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.15618354
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(1-(2-benzothiazolyl)-3-methylbutyl)-2-phenyl-
- IUPAC
- 3-[1-(1,3-benzothiazol-2-yl)-3-methylbutyl]-2-phenylquinazolin-4-one
Names & synonyms
72893-50-63-(1-(2-Benzothiazolyl)-3-methylbutyl)-2-phenyl-4(3H)-quinazolinone4(3H)-Quinazolinone, 3-(1-(2-benzothiazolyl)-3-methylbutyl)-2-phenyl-RefChem:283946DTXSID109936763-[1-(1,3-benzothiazol-2-yl)-3-methylbutyl]-2-phenylquinazolin-4(3H)-one
Database identifiers
- CAS
72893-50-6- PubChem CID
- 63513
- DTXSID
DTXSID10993676
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 674
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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