Basic information
- CAS
81262-83-1- Standard SMILES
COc1ccc(-n2c(SCC(=O)N3CCN(c4ccc(C)cc4)CC3)nc3ccccc3c2=O)cc1- InChIKey
KMOLJGJLCBWGDA-UHFFFAOYSA-N- Molecular formula
- C28H28N4O3S
- Average molar mass
- 500.6 g/mol
- Monoisotopic mass
- 500.18821194
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(p-methoxyphenyl)-2-((((4-(p-tolyl)-1-piperazinyl)carbonyl)methyl)thio)-
- IUPAC
- 3-(4-methoxyphenyl)-2-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
Names & synonyms
81262-83-14(3H)-Quinazolinone, 3-(p-methoxyphenyl)-2-((((4-(p-tolyl)-1-piperazinyl)carbonyl)methyl)thio)-DTXSID40231013RefChem:284161DTXCID401535043-(4-methoxyphenyl)-2-({2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinazolin-4(3H)-one
Database identifiers
- CAS
81262-83-1- PubChem CID
- 63290
- DTXSID
DTXSID40231013- Nikkaji
- J73.420I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 799
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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