Basic information
- CAS
81262-82-0- Standard SMILES
Cc1ccc(N2CCN(C(=O)CSc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)cc1- InChIKey
BCLSEGVOUBEZMR-UHFFFAOYSA-N- Molecular formula
- C27H26N4O2S
- Average molar mass
- 470.6 g/mol
- Monoisotopic mass
- 470.17764726
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-phenyl-2-((((4-(p-tolyl)-1-piperazinyl)carbonyl)methyl)thio)-
- IUPAC
- 2-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
Names & synonyms
BRN 60186774(3H)-Quinazolinone, 3-phenyl-2-((((4-(p-tolyl)-1-piperazinyl)carbonyl)methyl)thio)-81262-82-0DTXSID802310123-Phenyl-2-((((4-(p-tolyl)-1-piperazinyl)carbonyl)methyl)thio)-4(3H)-quinazolinoneRefChem:284177DTXCID801535032-({2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3-phenylquinazolin-4(3H)-one
Database identifiers
- CAS
81262-82-0- PubChem CID
- 63172
- DTXSID
DTXSID80231012- Nikkaji
- J73.439J
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 752
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…