Basic information
- CAS
72875-67-3- Standard SMILES
O=c1c2ccccc2nc(-c2ccccc2)n1Cc1nc2ccccc2s1- InChIKey
APRHYGNGJHYGEB-UHFFFAOYSA-N- Molecular formula
- C22H15N3OS
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.09358328
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(2-benzothiazolylmethyl)-2-phenyl-
- IUPAC
- 3-(1,3-benzothiazol-2-ylmethyl)-2-phenylquinazolin-4-one
Names & synonyms
4(3H)-Quinazolinone, 3-(2-benzothiazolylmethyl)-2-phenyl-72875-67-33-(2-Benzothiazolylmethyl)-2-phenyl-4(3H)-quinazolinoneDTXSID00223171RefChem:284002DTXCID00145662NSC795830NSC-7958303-[(1,3-Benzothiazol-2-yl)methyl]-2-phenylquinazolin-4(3H)-one
Database identifiers
- CAS
72875-67-3- PubChem CID
- 63155
- DTXSID
DTXSID00223171
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…